%chk=000043633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043633

0 1
 O    1.369500     -0.8703000     -0.2258000    
 O    3.052300      0.9987000      0.7279000    
 O   0.9953000      -1.495100       1.997000    
 O    2.000000      -3.946000       1.541500    
 O    3.419000       1.864000      -1.414000    
 O    6.051400       1.348900      -1.242100    
 N   -4.789000       1.356700      0.3437000    
 C   -3.349800       1.022700      0.5042000    
 C   -2.894400     -0.1152000     -0.4157000    
 C   -2.451100       2.255000      0.2532000    
 C   -3.841800      -1.001800     -0.9642000    
 C   -5.600300      0.1326000      0.4405000    
 C   -5.313000     -0.7830000     -0.7458000    
 C   -1.509600     -0.3045000     -0.6565000    
 C  -0.9851000       1.903500      0.3745000    
 C  -0.5324000      0.6441000     -7.4800000E-02
 C   -5.252100       2.317700       1.350400    
 C   -3.419300      -2.058400      -1.776400    
 C   -1.122900      -1.380100      -1.476400    
 C   0.8377000      0.3561000      5.8899999E-02
 C  -8.3899997E-02   2.846100      0.8928000    
 C   -2.066100      -2.247700      -2.028100    
 C    1.727900       1.293300      0.5916000    
 C    1.268700       2.539200       1.002700    
 C    1.396200      -1.749400      0.8692000    
 C    3.835300       1.344500     -0.3873000    
 C    1.999600      -3.061600      0.4385000    
 C    5.272300      0.9746000     -0.1233000    
 C    2.559100      -5.211600       1.204800    
 C    7.426600       1.027200      -1.060900    
 H   -3.180400      0.6649000       1.531700    
 H   -2.624400       2.668300     -0.7493000    
 H   -2.677100       3.042000      0.9809000    
 H   -5.404300     -0.3919000       1.385800    
 H   -6.670400      0.3749000      0.4224000    
 H   -5.812400      -1.744800     -0.5774000    
 H   -5.733600     -0.3444000      -1.659900    
 H   -4.785500       3.297400       1.213500    
 H   -5.056800       1.972700       2.372000    
 H   -6.329800       2.492100       1.249900    
 H   -4.144400      -2.733800      -2.222800    
 H  -9.5299996E-02  -1.550400      -1.776400    
 H  -0.4346000       3.822100       1.218500    
 H   -1.742900      -3.061000      -2.671700    
 H    1.955500       3.273100       1.415100    
 H    3.026400      -2.880900      0.1042000    
 H    1.392400      -3.478200     -0.3717000    
 H    5.332100     -0.1082000      2.8200001E-02
 H    5.615100       1.513300      0.7660000    
 H    3.600000      -5.097100      0.8875000    
 H    2.531500      -5.847000       2.094000    
 H    1.973300      -5.689500      0.4138000    
 H    7.552600     -5.2000001E-02 -0.9316000    
 H    7.973200       1.339200      -1.954800    
 H    7.833200       1.561400     -0.1968000    


%chk=000043633-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043633

0 1
O 1.253812 -0.790660 -0.052943
O 2.924641 1.233647 0.792054
O 0.778974 -1.354311 2.178172
O 3.407334 -2.585907 0.387220
O 3.489517 0.897454 -1.475187
O 6.071220 0.109511 -0.651436
N -4.924180 1.372025 0.429579
C -3.457758 1.130767 0.464148
C -3.040643 -0.081822 -0.375813
C -2.655636 2.350037 -0.056831
C -3.987342 -0.999858 -0.891185
C -5.687533 0.110118 0.603162
C -5.467911 -0.803657 -0.610271
C -1.647143 -0.255394 -0.651386
C -1.168200 2.088098 0.102776
C -0.686861 0.763200 -0.144927
C -5.353410 2.395607 1.406859
C -3.545456 -2.090711 -1.680070
C -1.231084 -1.343181 -1.463970
C 0.686541 0.514606 0.097500
C -0.281090 3.106282 0.510933
C -2.176745 -2.257145 -1.972406
C 1.568880 1.543807 0.491605
C 1.096010 2.850110 0.688606
C 1.294162 -1.629983 1.082617
C 3.787151 0.813721 -0.281187
C 2.024676 -2.920193 0.728614
C 5.046335 0.271824 0.367351
C 4.078605 -3.651880 -0.363059
C 7.294629 -0.457593 -0.086366
H -3.125779 0.940290 1.523279
H -2.927702 2.507501 -1.120001
H -2.925465 3.267646 0.492591
H -5.391636 -0.425626 1.542064
H -6.758788 0.366333 0.694027
H -5.957434 -1.782531 -0.443363
H -5.952695 -0.341273 -1.492263
H -4.891378 3.371153 1.183265
H -5.100906 2.126041 2.463834
H -6.447560 2.524703 1.337192
H -4.284018 -2.800484 -2.072984
H -0.174522 -1.449905 -1.721283
H -0.670169 4.114055 0.693004
H -1.845787 -3.089405 -2.603444
H 1.795236 3.632816 0.995468
H 1.508453 -3.391565 -0.135779
H 1.978951 -3.599310 1.601902
H 4.770527 -0.700562 0.832484
H 5.365663 0.968613 1.171961
H 3.530012 -3.885751 -1.298193
H 5.074112 -3.256632 -0.617800
H 4.184929 -4.574745 0.244192
H 7.113556 -1.458673 0.362575
H 7.999927 -0.553097 -0.926089
H 7.734478 0.204291 0.690401


