%chk=000262051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262051

0 1
O 3.531876 0.036554 -1.114888
O 2.811355 0.842050 0.868809
N -0.717939 -2.374978 -0.953310
N 0.461949 -2.822896 -1.140171
N 2.819670 -2.627281 -1.049859
C 0.109870 -0.205474 -0.245407
C -0.961197 -1.092933 -0.514438
C -0.164398 1.192013 0.155115
C 1.423676 -0.686562 -0.416745
C -2.385309 -0.727684 -0.353270
C 1.594837 -2.020411 -0.885857
C -0.843177 2.039895 -0.736440
C 0.228088 1.669011 1.414552
C 2.594377 0.155249 -0.098887
C -3.275559 -0.894557 -1.426087
C -2.851215 -0.230477 0.874621
C -1.120923 3.357571 -0.367554
C -0.060332 2.987245 1.779168
C -0.732788 3.831465 0.890668
C -4.621571 -0.552916 -1.271288
C -4.198524 0.107914 1.020008
C -5.084319 -0.050019 -0.051239
C 4.788520 0.772848 -0.973858
C 5.721907 0.023003 -0.047281
H -1.156800 1.666544 -1.711280
H 0.778059 1.018915 2.098764
H -2.917500 -1.301998 -2.371083
H -2.163292 -0.108241 1.709980
H -1.644750 4.015066 -1.059515
H 0.247653 3.356187 2.756490
H -0.954044 4.858557 1.176814
H -5.311657 -0.683503 -2.103188
H -4.559336 0.494285 1.971781
H -6.133148 0.214699 0.066201
H 2.853636 -3.541836 -1.482522
H 3.649052 -2.048403 -1.146417
H 5.134471 0.798092 -2.023293
H 4.559470 1.792031 -0.611941
H 6.701301 0.514899 0.014140
H 5.317159 -0.017122 0.976283
H 5.890851 -1.009100 -0.373778


%chk=000262051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262051

0 1
O 3.736600 -0.100735 -1.084690
O 2.769351 0.950804 0.750486
N -0.798638 -2.253785 -1.168124
N 0.428655 -2.704587 -1.486295
N 2.727011 -2.534040 -1.552448
C 0.126521 -0.148879 -0.281908
C -0.982483 -1.011725 -0.580861
C -0.134074 1.267829 0.147605
C 1.439741 -0.637233 -0.565935
C -2.421049 -0.699523 -0.323246
C 1.550375 -1.931533 -1.192880
C -0.730620 2.147322 -0.794321
C 0.145127 1.746138 1.452509
C 2.653270 0.154812 -0.208926
C -3.394107 -1.166512 -1.249891
C -2.866372 -0.013255 0.838359
C -1.032198 3.480949 -0.441607
C -0.172539 3.074316 1.809136
C -0.758375 3.948293 0.863929
C -4.768066 -0.933316 -1.034308
C -4.242093 0.214857 1.055652
C -5.199860 -0.237057 0.119039
C 5.001368 0.653059 -0.803611
C 5.867173 -0.085867 0.220696
H -0.964021 1.781995 -1.800779
H 0.614582 1.083067 2.183817
H -3.054781 -1.725668 -2.127011
H -2.143933 0.335637 1.580804
H -1.487615 4.147875 -1.181980
H 0.047113 3.428219 2.822461
H -0.999451 4.980485 1.142038
H -5.501180 -1.296364 -1.763475
H -4.564908 0.742881 1.959937
H -6.267158 -0.054386 0.288108
H 2.651560 -3.454575 -1.983599
H 3.588743 -1.989501 -1.566429
H 5.484483 0.719155 -1.791653
H 4.727074 1.659743 -0.445599
H 6.821019 0.456822 0.356531
H 5.360462 -0.137381 1.198477
H 6.103291 -1.110635 -0.116207


