%chk=000245217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245217

0 1
O -2.100771 0.652869 3.220635
O 3.645592 -1.378110 -2.729898
N -2.690790 0.077573 1.180892
N 2.533029 -0.680056 -0.964168
N -2.984779 0.462307 2.441263
N 2.585728 -1.168428 -2.223386
C -1.358535 -0.126152 0.631183
C 1.198585 -0.480095 -0.418148
C -1.080573 0.284198 -0.684606
C 0.197199 0.107272 -1.211397
C -0.354457 -0.709124 1.423652
C 0.923614 -0.889605 0.898100
C -3.832083 -0.160643 0.302941
C 3.672610 -0.349982 -0.115806
C -3.855771 -1.321467 -0.489171
C 4.806764 -1.176590 -0.118919
C -4.889731 0.761463 0.268869
C 3.627877 0.806753 0.681913
C -4.950328 -1.548647 -1.324805
C 5.896957 -0.840421 0.688792
C -5.979454 0.511225 -0.569922
C 4.724151 1.123463 1.485214
C -6.011239 -0.636532 -1.367353
C 5.858230 0.302959 1.491716
H -1.859563 0.743614 -1.296248
H 0.414908 0.421258 -2.234177
H -0.567198 -1.015618 2.451027
H 1.704113 -1.346430 1.509946
H -3.034112 -2.036455 -0.450596
H 4.847066 -2.063987 -0.752052
H -4.868341 1.655229 0.892675
H 2.750125 1.452499 0.673898
H -4.978465 -2.445464 -1.944234
H 6.782048 -1.476786 0.688088
H -6.807967 1.219342 -0.600160
H 4.696081 2.017628 2.107966
H -6.862550 -0.823004 -2.020338
H 6.710429 0.557844 2.119511


%chk=000245217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245217

0 1
O -2.081756 1.414276 2.846705
O 3.856958 -0.677178 -2.800499
N -2.757688 0.271465 0.979251
N 2.581322 -0.380000 -0.921515
N -3.080413 0.972245 2.190853
N 2.675338 -0.560326 -2.346018
C -1.412882 0.082280 0.502304
C 1.242788 -0.202572 -0.440891
C -1.087642 0.419637 -0.837562
C 0.226870 0.278962 -1.311073
C -0.398071 -0.386800 1.372563
C 0.918733 -0.536442 0.899337
C -3.907396 -0.161830 0.229175
C 3.733679 -0.321803 -0.051638
C -3.825452 -1.328801 -0.573188
C 4.713641 -1.342689 -0.106426
C -5.127795 0.556846 0.319211
C 3.896171 0.786405 0.817887
C -4.960214 -1.767972 -1.287091
C 5.850798 -1.255420 0.725672
C -6.257216 0.097907 -0.389810
C 5.033686 0.859507 1.648622
C -6.181790 -1.061213 -1.197395
C 6.014743 -0.159534 1.603779
H -1.867416 0.803568 -1.502965
H 0.476092 0.547248 -2.339542
H -0.636175 -0.652190 2.404621
H 1.694716 -0.918171 1.568916
H -2.886908 -1.888776 -0.630901
H 4.585714 -2.192285 -0.781745
H -5.180070 1.458980 0.933191
H 3.138721 1.576840 0.839857
H -4.889819 -2.668951 -1.906100
H 6.609897 -2.043825 0.686081
H -7.197321 0.655796 -0.319414
H 5.155899 1.712778 2.324183
H -7.060744 -1.405981 -1.752129
H 6.899401 -0.098080 2.246592


