%chk=000264723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264723

0 1
S 2.618180 0.916346 -0.092544
O -4.329178 0.102217 -0.875902
N -2.338116 0.453256 0.343914
N -0.526752 1.864009 0.134093
N -1.106827 -1.732146 0.270753
N 1.310612 -1.421350 0.067367
C -1.203914 -0.365303 0.250724
C -0.074160 0.532885 0.133782
C 1.197938 -0.073250 0.045321
C -1.856205 1.803547 0.244988
C -3.740269 -0.006142 0.406255
C 3.992447 -0.284438 -0.172468
C 0.168016 -2.188067 0.177026
C 5.250215 0.546001 -0.293467
H -2.538427 2.644957 0.265394
H -3.772575 -1.056640 0.775567
H -4.350203 0.683679 1.032345
H 3.993724 -0.922013 0.733162
H 3.852648 -0.965817 -1.034361
H 0.316092 -3.280754 0.187580
H 5.258688 1.169746 -1.198794
H 5.399691 1.213537 0.567218
H 6.137429 -0.102139 -0.348242
H -3.937855 -0.540220 -1.513310


%chk=000264723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264723

0 1
S 2.642262 1.083098 0.026140
O -3.976729 -0.883489 -0.726635
N -2.381267 0.599143 0.313147
N -0.576179 2.024176 0.338182
N -1.215712 -1.549199 -0.015668
N 1.213594 -1.269207 -0.138659
C -1.249838 -0.195940 0.156456
C -0.135099 0.696553 0.176887
C 1.139912 0.088031 0.020464
C -1.917253 1.921680 0.407953
C -3.754504 0.032192 0.360534
C 3.955834 -0.271934 -0.228703
C 0.062562 -2.010420 -0.153266
C 5.337406 0.394481 -0.253291
H -2.595715 2.763878 0.529522
H -3.881082 -0.462394 1.345267
H -4.478252 0.853989 0.251978
H 3.844363 -0.991373 0.596782
H 3.713378 -0.784783 -1.171928
H 0.183870 -3.087454 -0.295904
H 5.424058 1.123865 -1.078031
H 5.556122 0.916141 0.695295
H 6.113638 -0.378487 -0.401725
H -3.304170 -1.620649 -0.648394


