%chk=000295737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295737

0 1
S 1.363996 -4.275970 -0.062417
O 4.164289 1.615486 0.155369
O 2.065239 2.441498 0.123768
N 0.038807 0.641165 0.028215
N 0.702221 -1.679382 -0.013640
N 3.070609 -2.268373 0.030713
N -1.288950 0.282035 -0.014205
C 2.408385 0.066335 0.072740
C 1.029939 -0.334071 0.028310
C 2.804803 1.465044 0.117707
C 3.386832 -0.963856 0.071291
C -3.612244 0.882336 -0.057210
C 4.672605 3.000635 0.202812
C 1.720296 -2.567070 -0.010517
C -4.560575 1.922158 -0.061144
C -4.046391 -0.453523 -0.095658
C -2.179843 1.238091 -0.012134
C -5.923547 1.623520 -0.103097
C -5.412469 -0.743205 -0.137481
C 6.173659 2.823290 0.232346
C -6.352172 0.291932 -0.141296
C -0.432344 -4.341686 -0.108863
H 4.457981 -0.702400 0.104568
H 0.341840 1.648594 0.061058
H 4.302045 3.521196 -0.696927
H 4.260967 3.473994 1.110726
H -4.237169 2.961247 -0.031663
H -3.311760 -1.262812 -0.092767
H -1.965633 2.319196 0.020631
H 6.686365 3.792375 0.273330
H 6.493707 2.235600 1.104437
H 6.534834 2.288248 -0.657334
H -6.655153 2.430134 -0.106082
H -5.744415 -1.780067 -0.167192
H -7.415981 0.063154 -0.173927
H -0.841779 -3.820750 -0.987134
H -0.885446 -3.869421 0.775376
H -0.733749 -5.395678 -0.145512


%chk=000295737-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295737

0 1
S 1.401183 -4.428916 -0.063453
O 4.185369 1.612443 0.152862
O 1.982301 2.365156 0.113067
N 0.057294 0.493313 0.019997
N 0.745939 -1.779317 -0.017545
N 3.121002 -2.377248 0.024369
N -1.276977 0.129251 -0.019984
C 2.446395 -0.021004 0.065695
C 1.063058 -0.449545 0.021806
C 2.814949 1.398578 0.110769
C 3.421637 -1.055672 0.063460
C -3.590320 0.860455 -0.057857
C 4.633053 3.040766 0.200522
C 1.771173 -2.660465 -0.013957
C -4.494027 1.959176 -0.053581
C -4.112168 -0.465280 -0.101628
C -2.147210 1.121743 -0.017607
C -5.887722 1.741486 -0.092316
C -5.502817 -0.677450 -0.140217
C 6.156583 3.017989 0.246271
C -6.397318 0.423190 -0.135852
C -0.478521 -4.377734 -0.106196
H 4.482832 -0.792893 0.095058
H 0.384416 1.485528 0.051177
H 4.240434 3.554898 -0.695036
H 4.186106 3.512329 1.094067
H -4.100821 2.983258 -0.020021
H -3.407739 -1.303247 -0.104474
H -1.832150 2.184303 0.014295
H 6.542023 4.053124 0.282757
H 6.517500 2.481957 1.140414
H 6.571957 2.524556 -0.648729
H -6.574220 2.595237 -0.088664
H -5.897261 -1.699209 -0.173844
H -7.479189 0.252696 -0.166026
H -0.812513 -3.837255 -1.002444
H -0.853515 -3.866764 0.791106
H -0.800918 -5.430431 -0.131068


