%chk=000198901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198901

1 1
O 4.338490 -1.495169 0.599222
O -2.433671 1.942827 2.050481
O -3.688847 -0.033674 1.726878
N 2.334885 0.578957 0.341916
N -0.798696 1.532796 0.470750
N -1.324890 2.553184 1.344280
C 1.733756 1.915296 0.313953
C 2.808495 0.120912 1.684548
C 3.371942 0.367168 -0.715455
C 0.327565 1.973606 -0.379628
C 3.281208 -1.341859 1.606635
C 3.837262 -1.099828 -0.720404
C -1.593845 0.439132 0.434020
C -1.479390 -0.725134 -0.421845
C -2.705405 0.642062 1.414438
C -2.678117 -1.404757 -0.818465
C -0.206614 -1.217515 -0.857869
C -2.597768 -2.517228 -1.673692
C -0.147351 -2.335335 -1.706318
C -1.337918 -2.983330 -2.123814
H 1.659503 2.327483 1.340054
H 2.364835 2.628853 -0.256412
H 1.978249 0.202098 2.411485
H 3.650791 0.755178 2.043213
H 4.250398 1.027565 -0.535431
H 2.945778 0.625808 -1.703752
H 0.100452 3.018430 -0.657500
H 0.322763 1.354239 -1.290276
H 3.729543 -1.656851 2.561609
H 2.425952 -2.009846 1.364323
H 3.001353 -1.769231 -1.023036
H 4.679537 -1.237040 -1.416203
H -0.629861 2.853502 2.060393
H -3.655175 -1.053752 -0.475727
H 0.716982 -0.764205 -0.464251
H -3.514277 -3.025644 -1.986863
H 0.824357 -2.728102 -2.022650
H -1.282473 -3.860495 -2.776607


%chk=000198901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198901

1 1
O 4.382001 -1.490989 0.508615
O -2.515499 2.014436 1.955547
O -3.765885 0.044112 1.628144
N 2.330314 0.550453 0.381813
N -0.822982 1.556520 0.451365
N -1.376398 2.600558 1.278715
C 1.719590 1.883095 0.406241
C 2.881718 0.083786 1.691968
C 3.320485 0.375317 -0.726241
C 0.348585 1.968814 -0.352127
C 3.371441 -1.369733 1.567694
C 3.813418 -1.081989 -0.778753
C -1.625835 0.468776 0.406534
C -1.492906 -0.714004 -0.420802
C -2.772056 0.702186 1.338911
C -2.684768 -1.389563 -0.844762
C -0.211269 -1.227456 -0.803063
C -2.587416 -2.519495 -1.674778
C -0.135628 -2.362555 -1.627096
C -1.317985 -3.006917 -2.072338
H 1.585977 2.217449 1.453732
H 2.372479 2.641197 -0.078003
H 2.089286 0.142961 2.461622
H 3.732567 0.725949 2.014432
H 4.193350 1.050367 -0.574746
H 2.845819 0.642035 -1.690208
H 0.153521 3.016045 -0.644209
H 0.368497 1.346569 -1.260843
H 3.869532 -1.693226 2.494724
H 2.515259 -2.046512 1.355007
H 2.977940 -1.762596 -1.056287
H 4.625549 -1.189651 -1.514514
H -0.708188 2.916182 2.013459
H -3.669154 -1.022309 -0.542534
H 0.704380 -0.776066 -0.388027
H -3.498162 -3.024797 -2.009075
H 0.841861 -2.771461 -1.902493
H -1.249641 -3.897386 -2.705624


