%chk=000233938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233938

0 1
O 6.461608 -1.028615 0.000034
O -6.461656 1.028467 -0.000038
O 5.944076 1.205749 -0.000146
O -5.944120 -1.205896 -0.000160
N 4.293992 -0.488440 -0.000206
N -4.294041 0.488297 -0.000201
C 0.642497 0.336718 -0.000104
C -0.642544 -0.336859 -0.000082
C 1.846266 -0.422065 -0.000099
C -1.846316 0.421925 -0.000104
C 0.689339 1.757834 -0.000143
C -0.689385 -1.757972 -0.000048
C 3.085074 0.274940 -0.000171
C -3.085120 -0.275078 -0.000125
C 1.751927 -1.869797 -0.000027
C -1.751974 1.869658 -0.000100
C -0.554097 2.502313 -0.000117
C 0.554048 -2.502452 -0.000008
C 1.934262 2.408419 -0.000211
C -1.934311 -2.408559 -0.000054
C 3.118251 1.680213 -0.000233
C -3.118298 -1.680356 -0.000095
C 5.584289 0.050178 -0.000097
C -5.584336 -0.050325 -0.000126
C 7.872000 -0.672131 0.000002
C -7.872049 0.671982 -0.000113
H 2.677537 -2.447616 0.000019
H -2.677585 2.447476 -0.000075
H -0.489864 3.590763 -0.000103
H 0.489816 -3.590902 0.000043
H 1.976899 3.498642 -0.000248
H -1.976943 -3.498782 -0.000029
H 4.079456 2.210282 -0.000304
H -4.079505 -2.210419 -0.000107
H 4.207145 -1.513401 -0.000173
H -4.207196 1.513259 -0.000167
H 8.355949 -1.655317 0.000118
H 8.106577 -0.097207 0.901825
H 8.106590 -0.097413 -0.901947
H -8.106655 0.097068 0.901709
H -8.106608 0.097252 -0.902063
H -8.355999 1.655167 -0.000026


%chk=000233938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233938

0 1
O 6.484254 -1.066681 -0.000065
O -6.484302 1.066538 -0.000146
O 6.027492 1.243943 -0.000058
O -6.027540 -1.244086 -0.000069
N 4.325004 -0.423920 -0.000094
N -4.325052 0.423777 -0.000141
C 0.635042 0.342493 -0.000101
C -0.635090 -0.342636 -0.000086
C 1.871747 -0.405923 -0.000075
C -1.871795 0.405780 -0.000114
C 0.665037 1.784154 -0.000140
C -0.665085 -1.784297 -0.000044
C 3.115613 0.316358 -0.000101
C -3.115661 -0.316501 -0.000105
C 1.797069 -1.851600 -0.000024
C -1.797117 1.851458 -0.000147
C -0.580150 2.508862 -0.000160
C 0.580102 -2.509005 -0.000011
C 1.918807 2.449543 -0.000156
C -1.918855 -2.449686 -0.000034
C 3.126260 1.735170 -0.000140
C -3.126308 -1.735313 -0.000065
C 5.626346 0.054587 -0.000040
C -5.626394 -0.054730 -0.000098
C 7.924785 -0.741772 -0.000099
C -7.924833 0.741629 -0.000165
H 2.705868 -2.464464 0.000014
H -2.705916 2.464321 -0.000159
H -0.545068 3.604294 -0.000184
H 0.545021 -3.604437 0.000030
H 1.943411 3.545139 -0.000184
H -1.943459 -3.545281 -0.000001
H 4.084374 2.258193 -0.000155
H -4.084422 -2.258336 -0.000058
H 4.263921 -1.442544 -0.000110
H -4.263969 1.442401 -0.000183
H 8.432126 -1.716849 -0.000101
H 8.188746 -0.159326 0.898852
H 8.188707 -0.159344 -0.899073
H -8.188789 0.159205 0.898802
H -8.188760 0.159179 -0.899123
H -8.432174 1.716707 -0.000187


