%chk=000252338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252338

0 1
S 5.216287 -1.774973 -0.399200
O -1.579255 -2.279886 -1.183621
O -4.543439 1.060893 0.004544
N -2.340709 1.406018 0.572803
N 0.631262 -0.538185 0.109538
N -3.061004 -0.615596 -0.592500
N 0.121718 1.490285 1.051654
C -0.753732 -0.347778 -0.043484
C -1.040631 0.912166 0.550205
C 1.121266 0.585437 0.767062
C 2.546570 0.784845 1.148738
C -1.744876 -1.198604 -0.657368
C -3.402272 0.640566 -0.008542
C 3.496137 -0.051579 0.354855
C -2.632600 2.720881 1.193125
C -4.198191 -1.374406 -1.183938
C 3.724893 0.185928 -1.058294
C 4.234750 -1.086840 0.852652
C 4.629632 -0.669142 -1.605435
H 1.136832 -1.341775 -0.228981
H 2.656832 0.592867 2.244225
H 2.805899 1.869300 1.033370
H -2.328894 2.717621 2.255234
H -3.716045 2.939614 1.129495
H -2.074306 3.520403 0.674237
H -3.834066 -2.330173 -1.606419
H -4.676040 -0.787173 -1.987066
H -4.958500 -1.590348 -0.413506
H 3.211479 0.976807 -1.590246
H 4.259482 -1.468214 1.859035
H 4.979420 -0.712460 -2.623574


%chk=000252338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252338

0 1
S 5.321762 -1.752506 -0.526000
O -1.596373 -2.400306 -1.079262
O -4.582776 1.119190 -0.074059
N -2.331655 1.415901 0.521847
N 0.581231 -0.586127 0.203395
N -3.081066 -0.614815 -0.562065
N 0.096480 1.472479 1.037909
C -0.790546 -0.397768 0.011693
C -1.055267 0.875299 0.537610
C 1.078897 0.551965 0.818085
C 2.517474 0.711806 1.236055
C -1.786283 -1.246174 -0.585732
C -3.401112 0.672762 -0.037367
C 3.495555 -0.039326 0.349120
C -2.586318 2.757338 1.081177
C -4.221480 -1.362926 -1.139674
C 3.723179 0.282551 -1.048179
C 4.271354 -1.108123 0.776647
C 4.660571 -0.528494 -1.661430
H 1.116691 -1.405247 -0.087780
H 2.628472 0.376678 2.285626
H 2.734428 1.795259 1.236349
H -2.319380 2.778669 2.151064
H -3.656702 2.973158 0.952205
H -1.978750 3.509709 0.551001
H -3.828818 -2.321083 -1.510471
H -4.675435 -0.785382 -1.961230
H -4.992355 -1.532917 -0.370327
H 3.205298 1.094261 -1.566686
H 4.318662 -1.560489 1.766782
H 5.022160 -0.508844 -2.687705


