%chk=000203133.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203133

0 1
O -0.238456 -0.398944 -2.846984
N 2.515566 0.399646 -0.734772
N -0.295529 0.436442 -0.694005
C 4.787479 -0.344568 0.962151
C 3.533205 -1.219780 0.851495
C 4.433260 1.118521 0.669935
C 2.856964 -1.047250 -0.517723
C 3.744856 1.261130 -0.697747
C 1.792518 0.574808 -2.031143
C 0.329227 0.132687 -1.908712
C -1.655429 0.148578 -0.349523
C -2.071208 0.456280 0.962021
C -2.567374 -0.405383 -1.265844
C -4.306895 -0.340048 0.435661
C -3.390029 0.211266 1.343316
C -3.880863 -0.644433 -0.867971
C -5.721125 -0.604273 0.839847
H 3.787932 -2.284354 1.006570
H 2.817766 -0.950772 1.654187
H 3.761899 1.504414 1.463127
H 5.340500 1.749459 0.694909
H 5.227822 -0.435489 1.972462
H 5.563104 -0.698221 0.256680
H 3.509313 -1.457871 -1.318269
H 1.909170 -1.629359 -0.543391
H 3.427986 2.316436 -0.845237
H 4.462830 1.017448 -1.510162
H 1.795200 1.649307 -2.327271
H 2.244467 0.020443 -2.886014
H 0.291938 0.821614 0.059145
H -1.374841 0.883346 1.679602
H -2.247017 -0.649147 -2.285089
H -3.705710 0.451983 2.357158
H -4.583943 -1.073557 -1.581156
H -5.973308 -1.668847 0.732298
H -5.922974 -0.329468 1.882669
H -6.425499 -0.037044 0.214779


%chk=000203133-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203133

0 1
O -0.288947 -0.165288 -3.261045
N 2.489392 0.327871 -0.884971
N -0.177219 0.200455 -0.923032
C 4.511864 -0.200430 1.189663
C 3.360928 -1.191465 0.899998
C 4.094157 1.235536 0.796300
C 2.891369 -1.072916 -0.563159
C 3.608533 1.286801 -0.666405
C 1.861314 0.430287 -2.224469
C 0.347484 0.106072 -2.197770
C -1.514091 0.023366 -0.482887
C -1.784846 0.171261 0.902892
C -2.580985 -0.291661 -1.368358
C -4.173188 -0.306220 0.527398
C -3.096357 0.008135 1.394519
C -3.883624 -0.450868 -0.854912
C -5.587711 -0.481225 1.053573
H 3.681563 -2.232118 1.096744
H 2.506252 -0.976982 1.571651
H 3.273436 1.577196 1.457095
H 4.939764 1.937779 0.924963
H 4.798339 -0.240419 2.257265
H 5.406832 -0.495962 0.603956
H 3.712451 -1.407133 -1.246117
H 2.023307 -1.733142 -0.745375
H 3.247351 2.302146 -0.914532
H 4.467157 1.059544 -1.347495
H 1.961687 1.467939 -2.596387
H 2.327127 -0.232330 -2.986069
H 0.567883 0.418548 -0.233431
H -0.968157 0.416394 1.594020
H -2.371510 -0.405057 -2.434326
H -3.285102 0.127510 2.468308
H -4.698056 -0.693712 -1.549225
H -5.981224 -1.490104 0.826251
H -5.632096 -0.342615 2.147822
H -6.282274 0.247809 0.594545


