%chk=000038578.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038578

0 1
 O   -1.944000     -0.9032000      0.6910000    
 O  -0.1505000     -0.8777000      -2.610700    
 O   -1.730200       3.911500      0.9550000    
 O    1.177500       1.642400      -1.911700    
 O   -2.952600       1.419000       1.830500    
 N   -4.590800      -3.270200     -0.2817000    
 C   0.1389000     -0.8962000      -1.206400    
 C  -0.3902000      0.3691000     -0.6059000    
 C    1.658700      -1.115000      -1.035300    
 C   -1.424300      0.3089000      0.3318000    
 C   0.1633000       1.597100     -0.9937000    
 C    2.150800      -1.120800      0.4180000    
 C  -0.3426000       2.776400     -0.4196000    
 C   -1.942600       1.468800      0.9153000    
 C   -1.372400       2.674200      0.5101000    
 C    3.644800      -1.264500      0.5651000    
 C  -6.6799998E-02   4.164100     -0.5389000    
 C   -3.042900      -1.385100     -7.6200001E-02
 C   -3.456200      -2.745100      0.4633000    
 C  -0.9343000       4.806500      0.3138000    
 C    4.216700      -2.532700      0.6681000    
 C    4.455100     -0.1294000      0.5976000    
 C   0.9295000       2.375400      -3.106400    
 C    5.598600      -2.665800      0.8040000    
 C    5.837000     -0.2626000      0.7334000    
 C   -2.578000       1.306600       3.201400    
 C   -4.152800      -3.846300      -1.555400    
 C   -5.308400      -4.274800      0.5070000    
 C    6.408600      -1.530900      0.8365000    
 H  -0.3587000      -1.782700     -0.8017000    
 H    1.910200      -2.083200      -1.492300    
 H    2.240800     -0.4006000      -1.627100    
 H    1.653200      -1.930900      0.9672000    
 H    1.845900     -0.1974000      0.9261000    
 H   0.6751000       4.646600      -1.158400    
 H   -3.879300     -0.6791000      5.1000002E-03
 H   -2.748100      -1.444200      -1.129000    
 H   0.1606000      -1.719300      -2.985600    
 H   -2.603500      -3.437100      0.4739000    
 H   -3.722400      -2.599400       1.519500    
 H   -1.100300       5.843300      0.5673000    
 H    3.596100      -3.424400      0.6419000    
 H    4.021400      0.8638000      0.5154000    
 H    1.454600       1.873500      -3.924500    
 H    1.334500       3.386500      -3.015800    
 H  -0.1362000       2.412200      -3.357900    
 H    6.043900      -3.653200      0.8838000    
 H    6.467900      0.6210000      0.7579000    
 H   -2.015300      0.3834000       3.372000    
 H   -1.982300       2.172100       3.508300    
 H   -3.489400       1.277200       3.804600    
 H   -3.693000      -3.094400      -2.203800    
 H   -5.013300      -4.237000      -2.111000    
 H   -3.439300      -4.666800      -1.415700    
 H   -5.695500      -3.834300       1.432700    
 H   -4.670100      -5.126600      0.7685000    
 H   -6.176900      -4.650200     -4.5699999E-02
 H    7.484600      -1.634400      0.9419000    


%chk=000038578-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038578

0 1
O -1.776225 -0.958292 0.576858
O 0.030355 -0.745163 -2.777056
O -1.870002 3.966500 1.006664
O 1.305299 1.970082 -1.913793
O -3.012142 1.332915 1.766197
N -4.691633 -3.220266 -0.121001
C 0.346240 -0.781618 -1.317807
C -0.250552 0.475745 -0.706456
C 1.867465 -0.947326 -1.088250
C -1.324375 0.341569 0.234506
C 0.214571 1.775048 -1.035430
C 2.235014 -1.041905 0.417907
C -0.387285 2.907124 -0.429283
C -1.934420 1.457480 0.872419
C -1.441581 2.721992 0.505995
C 3.726979 -1.249934 0.632673
C -0.155261 4.341004 -0.502909
C -3.108759 -1.307882 -0.006571
C -3.416686 -2.737719 0.457046
C -1.052942 4.931946 0.359406
C 4.246100 -2.513738 1.013152
C 4.638382 -0.179880 0.428369
C 0.914832 2.265595 -3.313896
C 5.636802 -2.707995 1.183379
C 6.027605 -0.368071 0.598728
C -2.671707 0.689520 3.058459
C -4.566396 -3.658074 -1.526317
C -5.356609 -4.239114 0.715082
C 6.533278 -1.634907 0.976156
H -0.172879 -1.650461 -0.867974
H 2.201417 -1.879155 -1.592734
H 2.398802 -0.100269 -1.553852
H 1.663685 -1.868792 0.883518
H 1.906702 -0.107802 0.913373
H 0.594841 4.848610 -1.104753
H -3.872450 -0.600670 0.361970
H -3.034923 -1.231512 -1.108573
H 0.508849 -1.501488 -3.205494
H -2.550811 -3.400065 0.204797
H -3.507180 -2.731675 1.558568
H -1.257647 5.961282 0.640698
H 3.554913 -3.349484 1.181192
H 4.252266 0.805668 0.138301
H 1.859732 2.443216 -3.850728
H 0.279279 3.171498 -3.359182
H 0.381483 1.394738 -3.733095
H 6.018700 -3.691678 1.480564
H 6.715589 0.470686 0.441041
H -2.251871 -0.318345 2.891294
H -1.952180 1.317802 3.616222
H -3.622057 0.628329 3.609880
H -4.135227 -2.852998 -2.145213
H -5.567249 -3.891699 -1.931136
H -3.922608 -4.567351 -1.644769
H -5.515575 -3.842643 1.733328
H -4.779504 -5.195326 0.799485
H -6.346383 -4.479275 0.286247
H 7.611038 -1.781677 1.110395


