%chk=000227776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227776

0 1
O 4.098021 -2.994757 0.451184
N 2.191584 -0.955970 -0.086257
N -1.266449 1.571574 -0.063447
C 2.905883 -1.006658 1.234244
C 1.999341 -2.339077 -0.629361
C 1.005449 -0.136035 -0.052896
C 4.270698 -1.677482 1.011135
C 3.390822 -2.970544 -0.805623
C 1.188118 1.297800 -0.070081
C -0.277252 -0.649761 -0.068601
C 0.016924 2.108924 -0.055697
C -1.398804 0.242808 -0.080894
C 2.460337 1.942010 -0.142883
C -2.777396 -0.310714 -0.105962
C 0.137256 3.537700 -0.046081
C 2.553206 3.312252 -0.144957
C 1.379025 4.117963 -0.083744
C -3.135255 -1.346693 0.771502
C -3.724065 0.204472 -1.004857
C -4.429743 -1.870467 0.737664
C -5.016018 -0.327814 -1.035797
C -5.369407 -1.365448 -0.167718
H 2.325326 -1.572390 1.996599
H 3.038905 0.024438 1.625643
H 1.485876 -2.267996 -1.613059
H 1.376176 -2.980680 0.031218
H 4.917384 -1.082680 0.342195
H 4.791025 -1.889316 1.962111
H 3.331305 -4.042209 -1.065263
H 3.997208 -2.426272 -1.551170
H -0.471069 -1.718687 -0.067943
H 3.356739 1.323471 -0.219840
H -0.778998 4.129481 -0.012868
H 3.522204 3.804744 -0.201626
H 1.487670 5.202512 -0.076200
H -2.409999 -1.733254 1.485728
H -3.449293 1.026121 -1.668316
H -4.708342 -2.671535 1.420056
H -5.749040 0.071449 -1.734966
H -6.376649 -1.777478 -0.192873


%chk=000227776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227776

0 1
O 4.279820 -2.897837 0.789065
N 2.142214 -1.040790 0.175053
N -1.275290 1.536830 -0.206075
C 3.055922 -0.814726 1.333185
C 1.989168 -2.487174 -0.103719
C 1.020076 -0.190796 0.012067
C 4.423763 -1.456150 1.053935
C 3.377898 -3.105407 -0.354543
C 1.203685 1.240673 -0.158017
C -0.292334 -0.692700 -0.026129
C 0.008743 2.058290 -0.213503
C -1.417078 0.188803 -0.155383
C 2.477005 1.868847 -0.334411
C -2.814536 -0.341279 -0.192611
C 0.144617 3.480471 -0.328678
C 2.578868 3.257113 -0.472311
C 1.404830 4.072221 -0.442648
C -3.099895 -1.711365 -0.443297
C -3.903330 0.549650 0.014995
C -4.431790 -2.177928 -0.476024
C -5.232916 0.083817 -0.015167
C -5.505268 -1.283992 -0.258255
H 2.618148 -1.282169 2.244533
H 3.163126 0.263475 1.528049
H 1.365603 -2.620845 -1.005766
H 1.499572 -3.018268 0.745696
H 4.904486 -0.959845 0.182600
H 5.083806 -1.383309 1.933696
H 3.303703 -4.198572 -0.476758
H 3.821608 -2.656463 -1.269310
H -0.467760 -1.760495 0.119318
H 3.373966 1.245766 -0.412714
H -0.776480 4.071086 -0.348072
H 3.559358 3.721974 -0.623446
H 1.495482 5.159792 -0.539254
H -2.288213 -2.420414 -0.639848
H -3.672073 1.604002 0.192535
H -4.632097 -3.236354 -0.677510
H -6.058738 0.784842 0.150966
H -6.538965 -1.646971 -0.281946


