%chk=000289707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289707

0 1
S 3.013476 -1.770508 0.000360
N 0.538165 -0.645180 0.000310
N 2.508293 0.833171 -0.000597
N -0.368682 0.376842 0.000103
N -3.377096 -3.808002 0.002068
C -1.654941 0.131914 0.000392
C -2.573866 1.297854 0.000112
C -2.262154 -1.230946 0.000978
C 4.379421 -0.679910 -0.000304
C 3.919187 0.668002 -0.000765
C 1.892458 -0.325964 -0.000030
C -3.966003 1.098207 0.001070
C -2.065648 2.609796 -0.001102
C 5.733551 -0.986309 -0.000410
C 4.843639 1.722515 -0.001338
C -2.541729 -1.879098 -1.208674
C -2.540444 -1.878632 1.211176
C 6.644974 0.073920 -0.000985
C 6.202442 1.408171 -0.001441
C -4.831332 2.194215 0.000805
C -2.938155 3.700254 -0.001356
C -4.321280 3.496512 -0.000409
C -3.101221 -3.166581 -1.163166
C -3.099988 -3.166131 1.166759
H -4.382208 0.091130 0.002034
H -0.984003 2.778249 -0.001840
H 6.079713 -2.018506 -0.000058
H 4.492346 2.753938 -0.001688
H 0.260053 -1.634911 0.000755
H -2.341074 -1.391783 -2.161705
H -2.338790 -1.390950 2.163808
H 7.713711 -0.135249 -0.001081
H 6.938401 2.213127 -0.001883
H -5.908212 2.032083 0.001550
H -2.535866 4.712680 -0.002295
H -4.999088 4.348290 -0.000611
H -3.341876 -3.714506 -2.082895
H -3.339671 -3.713698 2.086956


%chk=000289707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289707

0 1
S 2.959439 -1.896444 0.000315
N 0.500902 -0.595675 0.000261
N 2.490807 0.786688 -0.000526
N -0.381827 0.466037 0.000029
N -3.214401 -3.891320 0.002235
C -1.685262 0.203424 0.000343
C -2.615568 1.356580 0.000004
C -2.228223 -1.202186 0.001016
C 4.361947 -0.736586 -0.000292
C 3.889835 0.619773 -0.000682
C 1.867195 -0.366525 -0.000038
C -4.023919 1.153913 0.000689
C -2.112480 2.691459 -0.000990
C 5.733664 -1.044615 -0.000397
C 4.829201 1.677593 -0.001183
C -2.478087 -1.894268 -1.212968
C -2.475641 -1.894069 1.215617
C 6.656709 0.028296 -0.000902
C 6.206293 1.374320 -0.001289
C -4.906808 2.255675 0.000390
C -2.997528 3.784713 -0.001284
C -4.399877 3.574357 -0.000598
C -2.966989 -3.220395 -1.162802
C -2.964658 -3.220201 1.166660
H -4.429519 0.136349 0.001474
H -1.028536 2.840175 -0.001507
H 6.086848 -2.080248 -0.000100
H 4.465909 2.709313 -0.001478
H 0.163477 -1.568398 0.000637
H -2.305858 -1.406621 -2.178056
H -2.301494 -1.406261 2.180280
H 7.730208 -0.188336 -0.000992
H 6.938431 2.188853 -0.001676
H -5.988930 2.084210 0.000933
H -2.598493 4.805159 -0.002054
H -5.085766 4.428726 -0.000832
H -3.174330 -3.774909 -2.084874
H -3.170167 -3.774549 2.089240


