%chk=000203502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203502

0 1
O -1.108500 0.112552 -1.855018
O 5.545095 -3.067960 -0.222571
N 1.204733 1.426141 1.081367
C -1.461709 0.037837 -0.448682
C -0.221254 -0.458888 0.321580
C 1.044889 0.378464 0.017301
C -2.660319 -0.898476 -0.316622
C -1.853575 1.457491 -0.064176
C 2.261363 -0.529630 0.007567
C 2.283391 2.409849 0.744600
C -2.857982 -1.701214 0.813389
C -1.669241 2.514968 -0.964629
C -3.600606 -0.927021 -1.358281
C -2.391397 1.710368 1.206796
C 2.807267 -0.942866 -1.221092
C 2.835586 -0.975644 1.204349
C 2.201691 3.613526 1.681679
C -3.978806 -2.534453 0.894119
C -2.014198 3.817891 -0.593918
C -4.717854 -1.760323 -1.276093
C -2.732930 3.014424 1.573262
C 3.906207 -1.793637 -1.259226
C 3.942786 -1.830087 1.195370
C 4.464318 -2.230189 -0.040064
C -4.908211 -2.567486 -0.149211
C -2.543647 4.070219 0.675024
C 6.213160 -3.574667 0.956855
H -0.029932 -1.519834 0.063538
H -0.415784 -0.460126 1.413337
H 0.924840 0.843321 -1.002904
H 0.312680 1.922957 1.209365
H -0.845968 -0.771096 -2.184351
H 2.242361 2.749523 -0.313876
H 3.258919 1.887541 0.874564
H -2.146254 -1.685506 1.637616
H -1.260698 2.312375 -1.958110
H -3.450341 -0.286928 -2.231087
H -2.550937 0.891731 1.907262
H 2.368914 -0.593583 -2.156242
H 2.416037 -0.639781 2.156445
H 1.288991 4.198499 1.521346
H 2.206719 3.297304 2.733434
H 3.055796 4.283145 1.534422
H -4.126244 -3.158164 1.774145
H -1.871323 4.636138 -1.297590
H -5.442894 -1.778244 -2.088104
H -3.150373 3.207787 2.559905
H 4.342865 -2.124443 -2.197740
H 4.375980 -2.162578 2.131450
H -5.779157 -3.216994 -0.084408
H -2.811927 5.084783 0.962735
H 7.009837 -4.188893 0.517571
H 6.631323 -2.749959 1.540985
H 5.527212 -4.187162 1.548720


%chk=000203502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203502

0 1
O -1.181540 0.036634 -2.010296
O 5.644384 -3.165687 -0.132841
N 1.149758 1.395392 1.039882
C -1.488083 0.008014 -0.550804
C -0.221526 -0.501183 0.203850
C 1.060340 0.356704 -0.016510
C -2.712337 -0.910937 -0.339346
C -1.822855 1.461295 -0.170881
C 2.306674 -0.538669 -0.011693
C 2.098321 2.493286 0.744176
C -2.732700 -1.994550 0.572922
C -1.521021 2.536753 -1.041078
C -3.872646 -0.657324 -1.120286
C -2.413722 1.737794 1.089341
C 2.777165 -1.116398 -1.219892
C 2.983740 -0.849294 1.188479
C 2.066372 3.555542 1.855657
C -3.885453 -2.805484 0.703224
C -1.793904 3.868180 -0.650570
C -5.020906 -1.464122 -0.992707
C -2.681005 3.067942 1.480694
C 3.883211 -1.986780 -1.229666
C 4.099123 -1.718374 1.200651
C 4.547817 -2.291515 -0.015049
C -5.032439 -2.544553 -0.077127
C -2.368211 4.140809 0.612126
C 6.370916 -3.502304 1.091660
H -0.025896 -1.536290 -0.135166
H -0.411644 -0.549095 1.293882
H 0.984562 0.811896 -1.035048
H 0.217981 1.775064 1.257214
H -1.094153 -0.902724 -2.313804
H 1.878397 2.977161 -0.241022
H 3.114139 2.061058 0.664404
H -1.855647 -2.219345 1.187656
H -1.086855 2.318165 -2.019874
H -3.859616 0.179767 -1.826702
H -2.677516 0.910299 1.758737
H 2.276605 -0.873765 -2.166216
H 2.629723 -0.379850 2.113465
H 1.059675 4.008901 1.940792
H 2.322130 3.103690 2.830657
H 2.785580 4.367437 1.644042
H -3.883891 -3.639933 1.413688
H -1.557461 4.692114 -1.333627
H -5.906827 -1.253114 -1.602303
H -3.138435 3.266338 2.456574
H 4.256114 -2.432094 -2.157353
H 4.605100 -1.934031 2.147025
H -5.924343 -3.172918 0.025088
H -2.578197 5.173316 0.913355
H 7.173977 -4.183113 0.772367
H 6.811799 -2.601044 1.561449
H 5.716127 -4.016058 1.822903


