%chk=000218985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218985

0 1
O -0.906874 -1.804918 -2.042717
O 1.732949 -0.087009 -0.409888
N -2.519889 -0.250483 -0.142371
C -2.699014 1.243064 -0.339433
C -3.631884 -0.761120 0.753142
C -1.156550 -0.747709 0.159731
C -4.139391 1.469538 0.126848
C -4.646355 0.383077 0.712200
C -1.749110 2.122771 0.487561
C -2.557434 1.552436 -1.835863
C -4.200514 -2.037800 0.121865
C -3.214389 -1.011322 2.211966
C -0.360353 -0.808022 -1.161119
C 1.088322 -1.277469 -0.949025
C 3.089519 -0.146595 -0.158979
C 3.610433 1.071965 0.358458
C 3.897370 -1.264019 -0.372563
C 4.971261 1.123273 0.652935
C 2.705575 2.238971 0.565191
C 5.262782 -1.174170 -0.064616
C 5.797254 0.006504 0.443995
H -0.596376 -0.135761 0.900100
H -1.227381 -1.773883 0.586483
H -4.614430 2.419266 -0.041850
H -5.628155 0.245443 1.128060
H -1.983703 3.184360 0.354020
H -1.826256 1.905351 1.558005
H -0.702604 1.985030 0.190736
H -3.257029 0.950479 -2.429229
H -2.754751 2.606525 -2.048644
H -1.545253 1.315505 -2.196955
H -4.549768 -1.845551 -0.900675
H -3.443697 -2.827353 0.058979
H -5.045842 -2.426422 0.697202
H -4.085739 -1.245289 2.833524
H -2.520931 -1.853339 2.302887
H -2.731010 -0.130581 2.648037
H -0.385216 0.173239 -1.699719
H 1.557177 -1.557203 -1.909550
H 1.179526 -2.102024 -0.225158
H -1.894413 -1.737673 -2.027555
H 3.496632 -2.190214 -0.770258
H 5.403802 2.040945 1.050157
H 1.883757 1.980065 1.249822
H 3.223989 3.111833 0.977901
H 2.239622 2.542922 -0.385053
H 5.903325 -2.039764 -0.228095
H 6.856218 0.071230 0.681211


%chk=000218985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218985

0 1
O -1.117275 -1.189119 -2.081562
O 1.880948 0.085341 -0.372995
N -2.513768 -0.002381 -0.160295
C -3.246582 1.260323 -0.575435
C -3.351063 -0.814608 0.813041
C -1.048296 0.031483 0.044391
C -4.671582 0.921262 -0.153577
C -4.730701 -0.209855 0.584932
C -2.758527 2.545939 0.159603
C -3.162445 1.482569 -2.110226
C -3.295312 -2.318638 0.442600
C -2.946884 -0.630494 2.310179
C -0.314550 -0.246715 -1.309422
C 1.062130 -0.886403 -1.118072
C 3.214288 -0.262573 -0.085476
C 3.954282 0.724307 0.631168
C 3.804823 -1.491132 -0.466098
C 5.300117 0.435249 0.948368
C 3.295920 2.030801 1.024828
C 5.154929 -1.748570 -0.132919
C 5.907784 -0.788436 0.574466
H -0.679208 0.973545 0.490995
H -0.784508 -0.784331 0.741295
H -5.515397 1.556538 -0.438978
H -5.630472 -0.661138 1.013371
H -3.431915 3.389841 -0.077238
H -2.759732 2.405363 1.254541
H -1.740690 2.835942 -0.160676
H -3.560569 0.608821 -2.653229
H -3.750303 2.373787 -2.399944
H -2.120028 1.645386 -2.435535
H -3.684039 -2.483498 -0.577087
H -2.255820 -2.693153 0.477384
H -3.897611 -2.918100 1.150442
H -3.692141 -1.119707 2.964137
H -1.965281 -1.090446 2.528072
H -2.905303 0.438762 2.580884
H -0.184916 0.705639 -1.868192
H 1.519526 -1.101829 -2.103612
H 0.967892 -1.833870 -0.548663
H -2.044273 -1.037122 -1.692649
H 3.231734 -2.243474 -1.015638
H 5.881418 1.185455 1.498215
H 2.412936 1.855064 1.667291
H 4.002212 2.680481 1.569379
H 2.929462 2.576511 0.135683
H 5.610421 -2.699978 -0.429552
H 6.953570 -0.984739 0.833506


