%chk=000002304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002304

0 1
 O  -0.5251000     -0.5745000      -1.952300    
 O    2.296900       1.045400       1.593400    
 O  -0.1989000      -4.100000     -0.8802000    
 O    2.110300      -2.412900       1.281300    
 N  -7.7200003E-02  0.2721000      0.1584000    
 N    3.203300      0.5831000     -0.4827000    
 N   0.2846000      -3.258700      0.1326000    
 C   0.2720000       2.747300      0.1216000    
 C   0.8105000       1.334700     -0.2668000    
 C   -1.577100      -1.646800     -7.3799998E-02
 C   -1.152400       2.926000     -0.4497000    
 C   0.2051000       2.959000       1.647800    
 C    1.156900       3.857600     -0.4775000    
 C   -2.759600      -1.006200      0.6779000    
 C  -0.6752000     -0.6008000     -0.7307000    
 C    2.164000      0.9796000      0.3653000    
 C  -0.7437000      -2.549700      0.8462000    
 C   -3.624200     -0.1244000     -0.2305000    
 C   -4.739400      0.5602000      0.5607000    
 C    4.526100      0.2160000      1.4000000E-02
 C    3.048200      0.5048000      -1.931100    
 C   -5.618500       1.413100     -0.3399000    
 C    1.613400      -3.124700      0.4159000    
 H   0.8621000       1.311600      -1.355600    
 H   -1.994600      -2.255200     -0.8879000    
 H  -0.2308000      0.1522000       1.154500    
 H   -1.874500       2.308600      9.0700001E-02
 H   -1.194300       2.665400      -1.512900    
 H   -1.490500       3.964200     -0.3508000    
 H  -0.3090000       2.137900       2.156900    
 H    1.195300       3.084500       2.095600    
 H  -0.3500000       3.875800       1.882700    
 H   0.7727000       4.853400     -0.2291000    
 H    1.199600       3.779400      -1.569600    
 H    2.183200       3.796100     -9.9399999E-02
 H   -2.391100     -0.4059000       1.518800    
 H   -3.384000      -1.799000       1.108800    
 H   -1.394600      -3.307900       1.298800    
 H  -0.3024000      -1.980200       1.671300    
 H   -4.066700     -0.7492000      -1.016500    
 H   -3.021300      0.6323000     -0.7382000    
 H   -5.359800     -0.1936000       1.059400    
 H   -4.305000       1.193400       1.343000    
 H    4.573300      0.2984000       1.102700    
 H    5.268500      0.8868000     -0.4279000    
 H    4.737400     -0.8176000     -0.2750000    
 H    2.252100     -0.2046000      -2.172100    
 H    3.975500      0.1633000      -2.401000    
 H    2.800700       1.495800      -2.322100    
 H   -6.093200      0.8041000      -1.115800    
 H   -5.033100       2.198200     -0.8291000    
 H   -6.408400       1.893400      0.2460000    
 H    2.236500      -3.750200     -0.2440000    
 H  -0.4079000      -4.896200     -0.3627000    


%chk=000002304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002304

0 1
O -0.666969 -0.533630 -2.120152
O 1.548812 0.954516 1.887424
O -0.715582 -4.268805 -1.468449
O 2.042243 -2.156727 -0.557571
N -0.296371 0.394414 -0.013923
N 3.223573 0.847106 0.273195
N 0.078302 -3.427798 -0.578539
C 0.389663 2.789694 -0.525959
C 0.819373 1.272056 -0.413414
C -1.682096 -1.646089 -0.174455
C -0.657911 2.902695 -1.665149
C -0.235217 3.303492 0.796967
C 1.626984 3.655693 -0.881807
C -2.672986 -1.144392 0.907525
C -0.860723 -0.536253 -0.863291
C 1.910919 1.019355 0.657960
C -0.698893 -2.694358 0.433757
C -3.721398 -0.150784 0.358937
C -4.724812 0.325035 1.434121
C 4.213892 0.474823 1.302902
C 3.666393 0.667322 -1.125021
C -5.777937 1.304355 0.872760
C 1.302053 -3.027900 -1.095634
H 1.132431 0.932059 -1.414510
H -2.251162 -2.140638 -0.982913
H -0.396402 0.304172 1.004117
H -1.544025 2.279350 -1.450872
H -0.243432 2.566155 -2.632870
H -0.989475 3.952838 -1.772034
H -1.146562 2.731847 1.052958
H 0.466840 3.217960 1.643638
H -0.525231 4.365022 0.681944
H 1.326836 4.715730 -0.975789
H 2.069982 3.351962 -1.849565
H 2.409396 3.594069 -0.103652
H -2.128722 -0.678855 1.756564
H -3.198920 -2.024464 1.333384
H -1.265252 -3.429643 1.036360
H 0.044067 -2.204783 1.090607
H -4.274449 -0.628442 -0.475679
H -3.205503 0.730092 -0.073417
H -5.235168 -0.555354 1.876375
H -4.169382 0.811335 2.262055
H 3.746604 0.585506 2.292399
H 5.103022 1.127890 1.231635
H 4.526214 -0.578414 1.166490
H 3.477107 -0.371424 -1.454719
H 4.748636 0.876360 -1.180663
H 3.159495 1.367876 -1.804464
H -6.369361 0.830493 0.066787
H -5.294367 2.203918 0.447592
H -6.481088 1.637147 1.658045
H 1.555291 -3.590608 -2.017592
H -0.713037 -5.167577 -1.034992


