%chk=000178569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178569

0 1
 I   -7.116000       1.084600     -0.2397000    
 O  -0.3555000     -0.2452000      0.4229000    
 O    2.323000       2.820900      0.3371000    
 O   0.6153000       1.771000     -0.8110000    
 O   -1.002600      -2.436800      0.1452000    
 N    3.529200     -0.2134000     -0.8320000    
 C    3.408500      0.2382000      0.5703000    
 C    2.982900      -1.581100     -0.7843000    
 C    1.915400      0.5642000      0.8260000    
 C    3.866600     -0.9743000       1.391300    
 C    3.575600      -2.181800      0.4953000    
 C    1.450300      -1.433700     -0.6995000    
 C    1.004200     -0.6456000      0.5425000    
 C    4.902000     -0.1661000      -1.328900    
 C    1.521200       1.767300      1.1500000E-02
 C   -1.258100      -1.245300      0.2262000    
 C    2.056200       4.037500     -0.3677000    
 C   -2.634000     -0.6981000      0.1169000    
 C   -3.556600      -1.364700     -0.6631000    
 C   -2.947400      0.4600000      0.7984000    
 C   -4.849200     -0.8505000     -0.7661000    
 C   -4.240000      0.9740000      0.6956000    
 C   -5.190900      0.3189000     -8.6700000E-02
 H    4.035700       1.111700      0.7816000    
 H    3.236400      -2.170900      -1.672500    
 H    1.764300      0.8531000       1.875400    
 H    3.356400      -1.050500       2.357100    
 H    4.943100     -0.9208000       1.593000    
 H    4.512600      -2.708000      0.2775000    
 H    2.902500      -2.896700      0.9794000    
 H    1.041000      -2.447600     -0.7083000    
 H    1.071500     -0.9485000      -1.609200    
 H    1.067800      -1.309100       1.416100    
 H    5.262200      0.8686000      -1.335700    
 H    4.937200     -0.5168000      -2.366200    
 H    5.607400     -0.7661000     -0.7452000    
 H    1.037600       4.379500     -0.1609000    
 H    2.205100       3.892500      -1.442000    
 H    2.759900       4.796100     -1.5000000E-02
 H   -3.301300      -2.273800      -1.199400    
 H   -2.229100      0.9817000       1.423800    
 H   -5.574600      -1.376300      -1.381700    
 H   -4.486100       1.885000       1.235400    


%chk=000178569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178569

0 1
I -7.333564 1.008588 -0.382306
O -0.371964 -0.302967 0.169339
O 2.240130 2.818430 0.718735
O 0.982377 1.948166 -1.032931
O -1.079532 -2.457318 0.744287
N 3.699188 -0.065142 -0.777192
C 3.396401 0.100069 0.676673
C 3.100227 -1.411334 -1.058761
C 1.874451 0.462617 0.782246
C 3.718822 -1.294157 1.330770
C 3.549636 -2.312536 0.151855
C 1.557784 -1.239031 -1.111220
C 1.052940 -0.729404 0.253478
C 5.137087 0.046556 -1.112093
C 1.621097 1.766045 0.023226
C -1.344725 -1.275151 0.405805
C 2.121180 4.153694 0.087983
C -2.715806 -0.720729 0.212474
C -3.827863 -1.536070 0.541517
C -2.925012 0.586889 -0.296791
C -5.142259 -1.052926 0.376540
C -4.236095 1.078228 -0.469774
C -5.332764 0.254506 -0.127365
H 3.986061 0.925789 1.105085
H 3.461732 -1.790651 -2.029784
H 1.627181 0.647475 1.844668
H 3.054895 -1.519462 2.184283
H 4.754030 -1.297280 1.714493
H 4.505870 -2.816468 -0.073822
H 2.807062 -3.099146 0.373185
H 1.071379 -2.202392 -1.349074
H 1.305324 -0.501245 -1.890707
H 1.092499 -1.551747 0.991703
H 5.487810 1.063242 -0.861542
H 5.264088 -0.095740 -2.199697
H 5.798741 -0.685446 -0.589610
H 1.061331 4.452986 0.022906
H 2.552557 4.136524 -0.927079
H 2.682670 4.829374 0.748551
H -3.648478 -2.545637 0.925588
H -2.061240 1.204066 -0.560815
H -5.998190 -1.682318 0.634953
H -4.397359 2.084152 -0.866380


