%chk=000265942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265942

0 1
O -2.105472 -0.842338 -2.888441
O 2.105967 -0.838148 2.889283
N -4.246363 -0.631348 -0.269445
N 4.246624 -0.629749 0.269956
N -1.198756 -0.763803 -0.815925
N 1.199114 -0.762483 0.816715
C -5.371196 -1.297213 0.471804
C -4.750424 0.517056 -1.096991
C 5.371561 -1.296196 -0.470601
C 4.750480 0.519704 1.096161
C -1.280758 -0.925711 0.659981
C 0.088245 -0.255231 -1.360013
C -0.088028 -0.253630 1.360208
C 1.281160 -0.926146 -0.658983
C -6.043541 -0.279285 1.408158
C -5.415619 1.558944 -0.184173
C 6.043590 -0.279180 -1.408171
C 5.415349 1.560712 0.182105
C -6.558500 0.935187 0.626033
C 6.558317 0.936308 -0.627475
C -3.543168 -1.630957 -1.133564
C 3.543751 -1.628541 1.135267
C -2.246925 -1.034786 -1.684976
C 2.247423 -1.031999 1.686046
H -4.942600 -2.127619 1.072961
H -6.128741 -1.742668 -0.208387
H -5.459068 0.195091 -1.890071
H -3.878108 0.974371 -1.615816
H 6.129258 -1.740685 0.210051
H 4.943119 -2.127395 -1.070770
H 3.878101 0.977398 1.614547
H 5.459268 0.198804 1.889544
H -2.233382 -0.473145 1.034312
H -1.308608 -2.011768 0.903873
H 0.126153 -0.455932 -2.459997
H 0.128956 0.851031 -1.237989
H -0.125874 -0.453029 2.460431
H -0.129050 0.852474 1.236871
H 2.233663 -0.473771 -1.033843
H 1.309304 -2.012489 -0.901563
H -6.870807 -0.768239 1.954002
H -5.315626 0.053873 2.174872
H -4.658054 1.983704 0.504438
H -5.788031 2.401381 -0.795339
H 6.870933 -0.768560 -1.953518
H 5.315537 0.052927 -2.175209
H 4.657626 1.984499 -0.506933
H 5.787602 2.403937 0.792279
H -7.383235 0.634237 -0.047365
H -6.986024 1.682176 1.320129
H 7.383176 0.636327 0.046203
H 6.985607 1.682607 -1.322457
H -4.147013 -1.973063 -2.007386
H -3.312993 -2.539461 -0.534947
H 4.147725 -1.969517 2.009439
H 3.313754 -2.537764 0.537679


%chk=000265942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265942

0 1
O -2.036564 -0.923028 -3.022363
O 2.038429 -0.920566 3.024655
N -4.158936 -0.582658 -0.315446
N 4.159216 -0.581735 0.316077
N -1.157581 -1.138244 -0.881649
N 1.159160 -1.137513 0.884199
C -5.396757 -1.085720 0.342015
C -4.391798 0.727403 -0.986164
C 5.396811 -1.084791 -0.341809
C 4.391778 0.729315 0.984961
C -1.280568 -1.486764 0.557745
C 0.195020 -0.773967 -1.372385
C -0.193552 -0.773432 1.374774
C 1.282276 -1.486570 -0.555048
C -5.910809 -0.080508 1.391582
C -4.876854 1.784658 0.024892
C 5.909230 -0.080550 -1.393098
C 4.875217 1.785642 -0.027829
C -6.153984 1.305223 0.751644
C 6.152026 1.306162 -0.755128
C -3.590800 -1.591375 -1.248442
C 3.592493 -1.589629 1.250814
C -2.204843 -1.189239 -1.786802
C 2.206495 -1.187845 1.789295
H -5.165267 -2.055569 0.823256
H -6.203401 -1.274275 -0.414320
H -5.149495 0.619215 -1.805008
H -3.449127 1.052201 -1.461064
H 6.204251 -1.271829 0.414056
H 5.165577 -2.055410 -0.821619
H 3.449315 1.054060 1.460305
H 5.150281 0.622648 1.803260
H -2.277281 -1.161757 0.905575
H -1.185918 -2.583929 0.700213
H 0.255989 -1.056560 -2.437183
H 0.339645 0.323772 -1.316010
H -0.254419 -1.055560 2.439701
H -0.338528 0.324235 1.317883
H 2.278857 -1.161333 -0.903032
H 1.188051 -2.583831 -0.697069
H -6.841320 -0.470752 1.846675
H -5.156907 0.011792 2.197639
H -4.074808 1.968105 0.766386
H -5.063642 2.737278 -0.506748
H 6.839595 -0.470731 -1.848546
H 5.154532 0.010226 -2.198584
H 4.072389 1.967628 -0.768836
H 5.061835 2.739046 0.502461
H -6.986530 1.231811 0.021380
H -6.462674 2.037996 1.520770
H 6.985273 1.234235 -0.025516
H 6.459536 2.038169 -1.525457
H -4.228077 -1.748376 -2.148986
H -3.522221 -2.555974 -0.707975
H 4.230392 -1.744897 2.151221
H 3.524390 -2.555004 0.711681


