%chk=000026859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026859

0 1
 O   -4.496600     -0.1880000     -0.8820000    
 O   -5.354700       1.813400      -1.598300    
 N  -0.4933000      -1.077300      0.2674000    
 N    2.221600     -0.2321000     -5.5999998E-03
 N   -5.563700       1.102100      0.6070000    
 C  -0.1552000      0.3512000      0.2749000    
 C   0.4244000      -1.802900     -0.6197000    
 C   -1.879100      -1.274500     -0.1562000    
 C    1.275600      0.5755000      0.7705000    
 C    1.873900      -1.651100     -0.1530000    
 C   -2.833400     -0.5854000      0.8160000    
 C   -4.285200     -0.7938000      0.4089000    
 C   -5.266000     -9.2699997E-02   1.325900    
 C    3.575900      0.1192000     -3.1599998E-02
 C   -5.160000       1.000900     -0.7055000    
 C    4.179000      0.7672000       1.065000    
 C    4.377500     -0.1639000      -1.155600    
 C    5.528900       1.117800       1.038700    
 C    5.727300      0.1868000      -1.181800    
 C    6.302900      0.8276000     -8.4700003E-02
 H  -0.7787000      0.9268000      0.9628000    
 H  -0.2724000      0.7863000     -0.7267000    
 H   0.3322000      -1.442100      -1.653100    
 H   0.1769000      -2.871400     -0.6235000    
 H   -2.031400     -0.9006000      -1.176800    
 H   -2.108600      -2.347500     -0.1662000    
 H    1.507500       1.643500      0.6713000    
 H    1.344800      0.3106000       1.833500    
 H    2.016200      -2.158800      0.8098000    
 H    2.520900      -2.152900     -0.8816000    
 H   -2.675500     -0.9673000       1.832300    
 H   -2.669100      0.4956000      0.8351000    
 H   -4.513800      -1.863400      0.3433000    
 H   -6.198500     -0.6580000       1.422100    
 H   -4.878200      0.1370000       2.321500    
 H   -6.098500       1.880300      0.9793000    
 H    3.610900      0.9982000       1.962600    
 H    3.947700     -0.6512000      -2.028000    
 H    5.978200       1.614300       1.893700    
 H    6.329700     -3.6499999E-02  -2.057500    
 H    7.353900       1.100600     -0.1052000    


%chk=000026859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026859

0 1
O -4.679545 0.118106 -0.815695
O -5.936634 2.087200 -1.104570
N -0.501885 -0.862900 0.062066
N 2.323144 -0.195631 -0.072885
N -5.944517 0.849528 0.923862
C -0.042228 0.547358 0.103724
C 0.426771 -1.645020 -0.791590
C -1.916719 -0.997474 -0.370242
C 1.380705 0.652732 0.681209
C 1.850001 -1.592636 -0.213563
C -2.904180 -0.614169 0.751165
C -4.368589 -0.795949 0.332423
C -5.399195 -0.406453 1.446764
C 3.714204 0.075028 -0.003214
C -5.579883 1.137414 -0.385671
C 4.234939 1.119174 0.822221
C 4.647143 -0.666400 -0.793282
C 5.615395 1.412548 0.837767
C 6.023445 -0.370453 -0.760712
C 6.526535 0.673930 0.051412
H -0.722004 1.139253 0.742027
H -0.052250 1.001877 -0.919557
H 0.443691 -1.260155 -1.842916
H 0.088587 -2.697814 -0.815020
H -2.140338 -0.393446 -1.282162
H -2.083433 -2.060045 -0.637751
H 1.700790 1.706009 0.602029
H 1.359279 0.374808 1.761043
H 1.848070 -2.098050 0.779595
H 2.524952 -2.155016 -0.876581
H -2.701130 -1.252654 1.633687
H -2.758795 0.437480 1.065420
H -4.544944 -1.819128 -0.043451
H -6.183322 -1.178720 1.565707
H -4.893238 -0.264684 2.419280
H -6.614093 1.435435 1.416481
H 3.571699 1.694733 1.474037
H 4.297116 -1.459303 -1.461646
H 5.979441 2.220050 1.484160
H 6.707839 -0.955200 -1.386773
H 7.597177 0.902142 0.070202


