%chk=000218361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218361

0 1
O 3.515603 1.271635 0.057572
N 1.364652 0.570638 0.501811
N 3.200678 -1.017306 -0.061888
C -1.068278 0.482520 0.132887
C -1.111003 1.987060 0.212713
C -2.243452 -0.269958 -0.027974
C -2.390436 2.588009 -0.380947
C -3.590686 0.389804 -0.177442
C -3.614065 1.875384 0.197813
C 0.173871 -0.198406 0.254560
C -2.180246 -1.682851 -0.088856
C 0.229832 -1.596588 0.205381
C -0.945048 -2.326725 0.031001
C -3.414427 -2.506479 -0.284634
C 2.642208 0.150416 0.138215
C 4.851223 0.733641 -0.218944
C 4.644910 -0.800349 -0.325532
H -1.027549 2.283139 1.281976
H -0.236266 2.433313 -0.305809
H -2.434286 3.672034 -0.168730
H -2.378874 2.487880 -1.483982
H -3.919482 0.267558 -1.232508
H -4.342453 -0.147630 0.438512
H -4.545838 2.343325 -0.170019
H -3.629018 1.985747 1.299913
H 1.182075 -2.127327 0.303180
H -0.889933 -3.414300 -0.010281
H 1.255902 1.592862 0.534011
H -4.143276 -2.335396 0.520266
H -3.906749 -2.268110 -1.237808
H -3.201111 -3.583547 -0.296750
H 5.477822 1.046567 0.628068
H 5.171188 1.213539 -1.154211
H 4.904119 -1.197535 -1.327900
H 5.243493 -1.364363 0.418639


%chk=000218361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218361

0 1
O 3.573361 1.318907 0.059293
N 1.364448 0.622651 -0.009269
N 3.191899 -0.995573 -0.087353
C -1.078153 0.493899 -0.071920
C -1.112825 2.023762 -0.056302
C -2.269837 -0.280551 -0.082127
C -2.503619 2.618665 -0.365975
C -3.641028 0.392669 -0.031490
C -3.592187 1.865998 0.421316
C 0.186869 -0.175589 -0.072505
C -2.203382 -1.707066 -0.142979
C 0.259479 -1.586045 -0.129960
C -0.935711 -2.329936 -0.173404
C -3.464759 -2.554589 -0.173797
C 2.675348 0.205390 -0.019657
C 4.939174 0.711077 0.077353
C 4.677784 -0.830091 -0.075456
H -0.779554 2.392685 0.939272
H -0.391007 2.426635 -0.798704
H -2.508684 3.697772 -0.122350
H -2.714411 2.527647 -1.450283
H -4.111346 0.338215 -1.037202
H -4.308367 -0.181786 0.639487
H -4.581504 2.338988 0.273725
H -3.363106 1.919342 1.504804
H 1.238498 -2.071234 -0.141283
H -0.877984 -3.423928 -0.222873
H 1.251021 1.633119 0.069274
H -4.056816 -2.451832 0.757131
H -4.134647 -2.272864 -1.008994
H -3.213858 -3.622675 -0.290859
H 5.410185 0.980794 1.037560
H 5.507902 1.148134 -0.759390
H 5.101651 -1.228900 -1.015233
H 5.110267 -1.405486 0.762452


