%chk=000246450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246450

0 1
S -2.125522 1.879958 0.044650
O -2.266652 2.582151 -1.210325
O -2.304972 2.572260 1.299932
O 0.730952 2.910667 0.100807
N 5.279089 -1.462005 0.250808
N 0.570450 1.688772 0.087645
N -0.564322 1.107002 0.064060
C 4.117847 -0.696843 0.121675
C -3.121331 0.469073 0.023762
C 1.761929 0.848413 0.098948
C 2.838225 -1.319781 0.078768
C 4.182096 0.727275 0.139154
C -4.747945 -1.812319 -0.010238
C 1.681399 -0.558633 0.073917
C 3.024313 1.481762 0.133447
C -3.539522 -0.110262 1.226357
C -3.517939 -0.089567 -1.195824
C -4.349604 -1.246151 1.213303
C -4.327981 -1.225317 -1.216678
C 5.238909 -2.911103 -0.064942
C 6.599973 -0.835303 -0.001950
C -5.627946 -3.017654 -0.028486
H 2.757006 -2.404308 0.060452
H 5.144926 1.233218 0.167978
H 0.700051 -1.046838 0.046523
H 3.069594 2.578529 0.151646
H -3.239024 0.333792 2.182497
H -3.200406 0.370888 -2.138635
H -4.675507 -1.689578 2.151703
H -4.637252 -1.652501 -2.168110
H 5.143241 -3.110603 -1.145447
H 4.390608 -3.391259 0.456887
H 6.157431 -3.400994 0.300523
H 6.774211 -0.620770 -1.069700
H 7.405595 -1.497969 0.357167
H 6.687572 0.110453 0.564392
H -5.462671 -3.646352 -0.914172
H -5.482878 -3.658502 0.852038
H -6.688945 -2.721101 -0.038531


%chk=000246450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246450

0 1
S -2.091938 1.811626 0.052246
O -2.248077 2.599582 -1.361629
O -2.264121 2.561880 1.484525
O 0.673098 2.726886 0.082374
N 5.586110 -1.381696 0.035932
N 0.625747 1.417397 0.062445
N -0.485619 0.670659 0.045126
C 4.370421 -0.706833 0.043296
C -3.289513 0.360017 0.026831
C 1.885160 0.672450 0.055960
C 3.124203 -1.422174 0.020931
C 4.318619 0.728030 0.071976
C -5.132186 -1.750372 -0.010413
C 1.899852 -0.743536 0.027477
C 3.093957 1.406231 0.078158
C -3.737408 -0.154574 1.253001
C -3.720146 -0.126008 -1.217077
C -4.665597 -1.218560 1.220991
C -4.648367 -1.190374 -1.222600
C 5.618277 -2.852379 0.000301
C 6.850088 -0.628259 0.054144
C -6.156432 -2.870716 -0.030902
H 3.115983 -2.514563 -0.001849
H 5.240374 1.314336 0.089158
H 0.955361 -1.293514 0.010222
H 3.048397 2.498258 0.099436
H -3.386027 0.277998 2.195218
H -3.355833 0.328219 -2.144050
H -5.032964 -1.638689 2.164473
H -5.002367 -1.588713 -2.180548
H 5.129900 -3.250263 -0.911293
H 5.114603 -3.293712 0.882918
H 6.664312 -3.194700 0.001252
H 6.945690 0.030927 -0.831308
H 7.695604 -1.332812 0.045623
H 6.938055 -0.000839 0.962953
H -6.049322 -3.502337 -0.929854
H -6.067580 -3.518896 0.858202
H -7.185315 -2.461478 -0.037647


