%chk=000294419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294419

0 1
O 4.358722 -1.053950 1.354784
O -5.031581 0.680290 -0.428263
O -4.672745 -1.451725 -0.413725
N 1.289696 0.663027 -0.317891
N -4.290834 -0.291165 -0.400081
C 3.585472 0.937393 0.271994
C 2.148601 0.654188 0.646972
C -0.100155 0.417143 -0.231423
C 4.472776 -0.291531 0.423329
C 1.877567 0.403732 2.093556
C -0.995675 1.510010 -0.267847
C -0.587522 -0.909316 -0.244760
C -2.842755 -0.046905 -0.342893
C -2.363114 1.276140 -0.327793
C -1.956026 -1.138689 -0.306554
C 5.503495 -0.469991 -0.647075
H 3.639057 1.340638 -0.766125
H 3.989386 1.748815 0.916834
H 2.035802 1.303439 2.703722
H 2.568762 -0.370389 2.489872
H 0.857232 0.049307 2.293056
H -0.608879 2.528686 -0.266626
H 0.110919 -1.745682 -0.223433
H -3.075935 2.108485 -0.361831
H -2.355658 -2.159589 -0.323692
H 5.037909 -0.705647 -1.616563
H 6.184331 -1.303812 -0.410297
H 6.121151 0.425197 -0.794747


%chk=000294419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294419

0 1
O 4.039363 -1.504499 0.715578
O -5.154329 0.683900 -0.469746
O -4.726604 -1.527656 -0.092986
N 1.245508 0.788289 -0.350350
N -4.340804 -0.305757 -0.280298
C 3.583914 0.865475 0.220602
C 2.128926 0.645726 0.599906
C -0.131650 0.514839 -0.256868
C 4.429887 -0.428631 0.194713
C 1.838586 0.272335 2.040064
C -1.069304 1.564702 -0.487160
C -0.608243 -0.816813 -0.057680
C -2.894928 -0.025297 -0.276254
C -2.447236 1.301360 -0.485414
C -1.985426 -1.088639 -0.069831
C 5.766802 -0.316968 -0.522756
H 3.635198 1.342849 -0.774322
H 4.075689 1.553226 0.940251
H 2.314055 0.997744 2.726396
H 2.293435 -0.714717 2.246999
H 0.758997 0.228297 2.253161
H -0.695053 2.576741 -0.667544
H 0.114180 -1.626652 0.087907
H -3.182673 2.093436 -0.648468
H -2.371279 -2.100163 0.081887
H 5.594078 -0.332650 -1.616824
H 6.413335 -1.168104 -0.259163
H 6.275576 0.635726 -0.289299


