%chk=000213545.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213545

0 1
S -4.293662 1.724893 0.333094
O 0.658389 1.739532 0.559668
O -2.635092 -1.236512 -1.474192
N 1.636114 -1.484318 -0.439390
N 1.911133 -0.083844 -0.240572
N -1.716312 -0.108710 0.308484
C 0.192540 -1.613313 -0.391764
C -0.369850 -0.428460 0.021777
C 0.696413 0.592177 0.188360
C 3.224303 0.289697 0.227447
C 2.294033 -2.014969 -1.670229
C -0.456875 -2.902459 -0.672718
C 3.560275 1.656483 0.165624
C 4.152034 -0.656247 0.695393
C -2.781300 -0.483047 -0.525119
C 4.836356 2.060472 0.556739
C 5.426948 -0.228969 1.074577
C 5.774669 1.122833 1.003737
C -4.086884 0.062818 -0.112449
C -5.284557 -0.595485 -0.073548
C -6.376990 0.251208 0.340490
C -5.997914 1.535283 0.598321
H 3.373862 -1.781135 -1.648743
H 2.184446 -3.112247 -1.675193
H 1.881272 -1.606319 -2.607647
H -1.227786 -2.777181 -1.470254
H 0.228841 -3.698752 -0.985095
H -1.008400 -3.266237 0.211472
H -1.841419 0.573180 1.061813
H 2.821685 2.390207 -0.166918
H 3.880907 -1.707212 0.782062
H 5.101413 3.116908 0.513276
H 6.151469 -0.958396 1.435227
H 6.769053 1.447330 1.301505
H -5.422278 -1.640755 -0.326079
H -7.388139 -0.126213 0.424647
H -6.611594 2.362459 0.915698


%chk=000213545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213545

0 1
S -4.326735 1.050477 1.512259
O 0.548214 1.767855 0.475501
O -2.802229 -1.451239 -1.331342
N 1.621737 -1.514509 -0.422758
N 1.894403 -0.129213 -0.164217
N -1.694021 -0.065568 0.203214
C 0.209965 -1.678728 -0.368062
C -0.369654 -0.453905 -0.064846
C 0.675551 0.559270 0.102433
C 3.208525 0.302497 0.188586
C 2.391117 -2.096011 -1.556220
C -0.409557 -3.032889 -0.547608
C 3.562070 1.660896 -0.015860
C 4.142260 -0.603395 0.755295
C -2.840404 -0.564081 -0.418475
C 4.853440 2.099984 0.343009
C 5.436373 -0.151818 1.090745
C 5.799773 1.199311 0.886041
C -4.129691 0.009123 0.034861
C -5.354161 -0.172852 -0.600557
C -6.450747 0.501217 0.039004
C -6.078457 1.204783 1.176119
H 3.468487 -1.963307 -1.376479
H 2.175826 -3.173456 -1.611495
H 2.119065 -1.616460 -2.516430
H -1.149941 -3.014351 -1.364796
H 0.345478 -3.814957 -0.727198
H -0.968427 -3.308979 0.365795
H -1.756794 0.817451 0.728316
H 2.824702 2.353708 -0.427714
H 3.840111 -1.635617 0.960523
H 5.121888 3.151064 0.190875
H 6.154518 -0.854207 1.528256
H 6.803092 1.547495 1.153492
H -5.435731 -0.778896 -1.505236
H -7.479073 0.468063 -0.327876
H -6.693870 1.795944 1.852346


