%chk=000259177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259177

0 1
O -3.155021 -2.389392 0.235484
O 3.690698 -1.870647 0.513938
O 0.912162 1.827103 0.306571
N 0.587965 -1.263774 -0.978122
N 2.220727 -0.060346 0.391539
N 4.624856 0.191453 0.245945
C -0.860697 -1.660182 -1.053891
C -1.804606 -0.613362 -0.525293
C 1.016605 -0.967880 0.422189
C -2.993637 -1.018014 0.121093
C -1.573641 0.751989 -0.682449
C -3.934271 -0.092697 0.606631
C 1.417386 -2.339278 -1.600519
C -2.485148 1.700309 -0.185494
C -3.659335 1.273355 0.445777
C 3.488868 -0.676860 0.385458
C 2.031851 1.370819 0.240521
C -5.188349 -0.546883 1.279894
C -2.172542 3.153942 -0.330696
C 3.263075 2.141399 0.068053
C 4.489196 1.571384 0.073006
H -1.095216 -1.816155 -2.136101
H -1.058270 -2.635964 -0.546133
H 0.203986 -0.407036 0.955191
H 1.289735 -1.873685 1.016277
H -0.650305 1.087311 -1.168113
H 1.142386 -2.432051 -2.663339
H 2.482266 -2.059035 -1.567072
H 1.321298 -3.327648 -1.124922
H -4.368392 2.008185 0.821700
H -5.801051 -1.171653 0.615046
H -4.973186 -1.115544 2.195269
H -5.821999 0.299509 1.581678
H -2.808155 3.792523 0.292580
H -1.125146 3.353233 -0.042525
H -2.289745 3.482816 -1.372125
H 5.547140 -0.249984 0.262212
H 3.119001 3.214014 -0.065917
H -3.983857 -2.619639 0.715687
H 5.417465 2.142666 -0.051929


%chk=000259177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259177

0 1
O -3.246706 -2.473100 0.338943
O 3.645754 -2.025313 0.708630
O 1.244859 1.989135 0.034518
N 0.554466 -1.102030 -0.939023
N 2.406577 -0.046009 0.293397
N 4.785310 -0.033314 0.335799
C -0.826498 -1.648072 -0.815264
C -1.870662 -0.626120 -0.382232
C 1.120440 -0.788727 0.391364
C -3.088398 -1.070855 0.191717
C -1.682995 0.760632 -0.561728
C -4.102410 -0.161932 0.593254
C 1.417502 -1.993664 -1.747325
C -2.665247 1.703520 -0.169359
C -3.865268 1.221783 0.406094
C 3.596890 -0.788664 0.464010
C 2.352482 1.385152 0.079787
C -5.396093 -0.671285 1.207540
C -2.419359 3.189647 -0.368306
C 3.653610 2.042491 -0.055929
C 4.816271 1.329142 0.075808
H -1.104446 -2.038839 -1.814029
H -0.869596 -2.526945 -0.128093
H 0.404088 -0.141896 0.922539
H 1.331212 -1.701332 0.992285
H -0.733868 1.100170 -0.987384
H 0.953027 -2.135068 -2.738874
H 2.404508 -1.526880 -1.903674
H 1.582838 -2.994746 -1.282581
H -4.637828 1.935427 0.720842
H -5.964709 -1.322021 0.511823
H -5.224536 -1.244234 2.142670
H -6.057183 0.171277 1.469601
H -3.081153 3.801408 0.270464
H -1.371105 3.446333 -0.132697
H -2.600973 3.491412 -1.418650
H 5.642491 -0.575700 0.455822
H 3.656108 3.115175 -0.249184
H -4.101142 -2.677221 0.793248
H 5.805842 1.785562 -0.008726


