%chk=000221140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221140

0 1
O 0.887355 -0.975866 -0.155452
O -0.031498 -0.406503 1.833907
N 4.450694 -0.166731 0.235175
C -1.874600 1.017002 -0.200665
C -1.400116 -0.465480 -0.224267
C -0.736324 1.949424 -0.666594
C -1.258328 3.378187 -0.852742
C -3.108711 1.198729 -1.046472
C -2.362777 3.422923 -1.920127
C -2.468839 -1.416562 0.264015
C -3.331570 2.284770 -1.792604
C 2.997415 0.183599 0.116202
C -0.161586 -0.596774 0.647415
C 2.211521 -1.104224 0.448009
C 5.322642 0.755056 -0.588604
C 2.529320 1.368008 0.967846
C -3.091184 -2.281699 -0.648478
C -2.854379 -1.434564 1.613035
C 4.893215 -0.252077 1.657858
C 6.811153 0.461251 -0.350725
C 4.993123 0.537538 -2.075369
C -4.094290 -3.152374 -0.213211
C -3.856857 -2.307139 2.042082
C -4.480221 -3.165870 1.130602
H -2.148203 1.280943 0.855905
H -1.118696 -0.725799 -1.281871
H 0.100753 1.940227 0.068784
H -0.309296 1.579999 -1.619114
H -1.653132 3.761819 0.108390
H -0.429450 4.052571 -1.135699
H -3.838665 0.391135 -0.985273
H -2.902397 4.389181 -1.859966
H -1.910006 3.391376 -2.933948
H -4.247303 2.396321 -2.372792
H 2.790377 0.425239 -0.966364
H 2.625222 -1.988657 -0.070839
H 2.114997 -1.297344 1.529072
H 5.125641 1.828356 -0.325458
H 3.168994 2.244464 0.830201
H 2.510901 1.132046 2.038560
H 1.498552 1.660557 0.698894
H -2.795889 -2.279004 -1.696323
H -2.355655 -0.776315 2.329475
H 4.144680 -0.790754 2.259473
H 5.077679 0.719674 2.138854
H 5.819699 -0.848521 1.699380
H 7.145399 0.784581 0.639558
H 7.433245 0.980103 -1.088308
H 7.023628 -0.611717 -0.442941
H 5.615139 1.169618 -2.715260
H 5.163156 -0.507511 -2.365443
H 3.942308 0.763868 -2.298002
H -4.574545 -3.822731 -0.924051
H -4.151045 -2.318965 3.090586
H -5.261250 -3.844485 1.467185


%chk=000221140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221140

0 1
O 0.894586 -0.615492 -0.065188
O -0.143672 0.244750 1.845603
N 4.605203 -0.239047 0.395312
C -2.217349 1.238841 -0.072841
C -1.456310 -0.126851 -0.225372
C -1.300812 2.438724 -0.427343
C -2.112582 3.749140 -0.534998
C -3.478519 1.251173 -0.923965
C -3.162995 3.658253 -1.667069
C -2.321086 -1.339413 0.148402
C -3.891584 2.326095 -1.646755
C 3.233114 0.175667 -0.035068
C -0.200713 -0.124103 0.648643
C 2.199250 -0.743979 0.653321
C 5.718729 0.205370 -0.509213
C 2.898329 1.677907 0.160977
C -2.675690 -2.290947 -0.839422
C -2.794067 -1.518573 1.474529
C 4.891176 0.076180 1.818335
C 7.039466 -0.498098 -0.112901
C 5.418891 -0.089152 -1.996724
C -3.491946 -3.398566 -0.515224
C -3.609241 -2.624628 1.799708
C -3.963215 -3.568079 0.806608
H -2.499736 1.320059 0.999087
H -1.131149 -0.235394 -1.275501
H -0.508181 2.545345 0.336992
H -0.801883 2.240392 -1.399324
H -2.628817 3.933438 0.428153
H -1.435933 4.607553 -0.708129
H -4.076471 0.330021 -0.937617
H -3.895588 4.485532 -1.578880
H -2.672706 3.795640 -2.654960
H -4.807569 2.244919 -2.249503
H 3.153995 -0.060489 -1.110074
H 2.506012 -1.796051 0.538571
H 2.030646 -0.497794 1.716167
H 5.881912 1.311161 -0.402944
H 3.631233 2.316364 -0.365499
H 2.899423 1.957315 1.229791
H 1.898178 1.906424 -0.248470
H -2.310434 -2.163270 -1.865595
H -2.506232 -0.801278 2.251834
H 4.009969 -0.146087 2.442128
H 5.169571 1.144840 1.989023
H 5.716385 -0.553289 2.189675
H 7.387522 -0.215356 0.895081
H 7.838249 -0.223583 -0.825377
H 6.903827 -1.594817 -0.141338
H 6.326274 0.103224 -2.596740
H 5.135518 -1.149595 -2.129946
H 4.615976 0.545639 -2.410680
H -3.757765 -4.125787 -1.290796
H -3.965720 -2.753118 2.828062
H -4.595476 -4.426232 1.060955


