%chk=000257243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257243

0 1
O 0.630709 1.936114 0.994132
N -0.740501 0.638701 -0.286859
N 1.618134 0.056457 0.052380
N -2.198673 3.495417 -1.478095
C -1.901705 1.465829 0.170938
C -3.185744 0.660487 0.207699
C -3.335514 -0.459473 -0.637163
C 0.520387 0.934190 0.312056
C -0.976064 -0.359633 -1.276924
C -2.210392 -0.865902 -1.474831
C -4.228840 1.050994 1.055734
C -4.546444 -1.173009 -0.627333
C 2.962152 0.594313 0.171774
C 1.459685 -1.380934 -0.006748
C -5.426202 0.332757 1.059101
C -5.583735 -0.774833 0.216013
C -2.067615 2.604369 -0.757636
C 3.960887 -0.145711 0.827174
C 2.187682 -2.102280 -0.970189
C 3.251556 1.843196 -0.405395
C 0.592732 -2.039002 0.882139
C 5.258248 0.367972 0.885438
C 2.034692 -3.487686 -1.040555
C 4.553532 2.340781 -0.328153
C 0.447715 -3.425079 0.788538
C 5.559063 1.606072 0.309320
C 1.164829 -4.150795 -0.167865
H -1.657585 1.881959 1.200040
H -0.098888 -0.669568 -1.855659
H -2.398463 -1.600408 -2.255806
H -4.113555 1.917002 1.707482
H -4.671754 -2.036512 -1.278370
H -6.240218 0.636914 1.715172
H -6.522812 -1.327964 0.219624
H 3.731451 -1.103773 1.290989
H 2.867022 -1.584759 -1.647461
H 2.469657 2.427873 -0.889518
H 0.038348 -1.481238 1.635710
H 6.038475 -0.200821 1.390925
H 2.596762 -4.054483 -1.783288
H 4.784042 3.311118 -0.768694
H -0.227424 -3.941949 1.471344
H 6.571525 2.000806 0.362328
H 1.048446 -5.231210 -0.231909


%chk=000257243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257243

0 1
O 0.665561 1.971835 1.096887
N -0.720583 0.621912 -0.196986
N 1.604000 0.047009 0.088529
N -2.172022 3.625264 -1.257475
C -1.876743 1.431925 0.271120
C -3.165818 0.606175 0.257555
C -3.321936 -0.376703 -0.765298
C 0.534787 0.936524 0.382827
C -0.928008 -0.223052 -1.312164
C -2.181432 -0.667716 -1.635461
C -4.206484 0.865427 1.169954
C -4.557001 -1.071561 -0.860661
C 2.951846 0.585202 0.128511
C 1.425387 -1.390295 0.063076
C -5.429926 0.162219 1.068060
C -5.603649 -0.800963 0.045408
C -2.028424 2.652449 -0.582874
C 3.983464 -0.110475 0.804571
C 2.146137 -2.168460 -0.878817
C 3.237169 1.809375 -0.525141
C 0.555388 -2.026836 0.982022
C 5.294319 0.413727 0.815605
C 1.989910 -3.569913 -0.901110
C 4.546026 2.332579 -0.496794
C 0.392175 -3.428692 0.941907
C 5.583080 1.636402 0.167699
C 1.108421 -4.207526 0.004400
H -1.634033 1.789053 1.288053
H -0.038167 -0.490703 -1.882879
H -2.312609 -1.302290 -2.515843
H -4.075486 1.626817 1.948042
H -4.687111 -1.829967 -1.641451
H -6.241661 0.370662 1.772695
H -6.553419 -1.339961 -0.041007
H 3.761801 -1.049973 1.320253
H 2.826389 -1.674065 -1.580152
H 2.438211 2.354573 -1.037672
H 0.014751 -1.429572 1.723793
H 6.086314 -0.129999 1.342363
H 2.551286 -4.163211 -1.631275
H 4.756405 3.282964 -0.999177
H -0.287203 -3.911915 1.652511
H 6.599715 2.043460 0.183107
H 0.984778 -5.295409 -0.019118


