%chk=000233371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233371

0 1
O -0.037363 1.222587 -0.690922
O 3.154667 -1.659171 -2.065290
O 3.950948 4.310267 0.136651
O 0.227054 -1.610560 3.103585
O -1.745552 -3.161938 1.838615
N 2.314721 0.972285 0.427309
C 1.609972 0.323593 1.594944
C 0.267174 -0.220720 1.186678
C 3.179178 -0.003595 -0.315168
C 3.110908 2.164574 0.869251
C -0.480295 0.291677 0.159854
C -1.871599 -0.135869 -0.113084
C -0.257033 -1.278145 2.046725
C -2.384857 -1.257510 0.570616
C 2.307530 -0.965581 -1.144007
C 3.280438 3.132351 -0.317505
C -1.517281 -2.024523 1.513994
C -2.677573 0.557770 -1.021501
C -3.699091 -1.672323 0.340087
C -3.997015 0.140978 -1.241057
C -4.506779 -0.967505 -0.562516
H 2.220212 -0.486351 2.059907
H 1.445110 1.078630 2.401607
H 3.848222 -0.578071 0.360362
H 3.847364 0.548617 -1.016181
H 4.099123 1.892877 1.295345
H 2.567092 2.699589 1.683678
H 1.600757 -0.424344 -1.805566
H 1.750889 -1.681969 -0.516178
H 2.307658 3.523390 -0.677612
H 3.830823 2.681295 -1.161214
H -2.269737 1.421020 -1.554830
H -4.086230 -2.550613 0.865004
H -4.624629 0.686242 -1.947115
H -5.533739 -1.290981 -0.735540
H 1.016151 1.455273 -0.483443
H 3.657122 -2.364667 -1.611186
H 4.893058 4.125522 0.324803


%chk=000233371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233371

0 1
O -0.060265 1.392655 -0.503494
O 3.208505 -1.772655 -2.044886
O 3.971309 4.424074 0.221815
O 0.545186 -2.050632 2.772959
O -2.060664 -2.988027 2.237655
N 2.240227 1.032265 0.356945
C 1.618827 0.292185 1.541850
C 0.255632 -0.277322 1.188778
C 3.077186 0.119815 -0.504256
C 3.019036 2.235716 0.821050
C -0.543071 0.352794 0.218434
C -1.919881 -0.105293 -0.069049
C -0.191244 -1.446929 1.917767
C -2.450837 -1.234627 0.622226
C 2.321656 -1.096274 -1.086441
C 3.506978 3.144706 -0.327544
C -1.624083 -1.971280 1.630114
C -2.713233 0.571354 -1.024647
C -3.769857 -1.668289 0.347170
C -4.029447 0.132768 -1.289034
C -4.559588 -0.987680 -0.603854
H 2.288491 -0.508966 1.907021
H 1.517754 1.025273 2.365380
H 3.951273 -0.226351 0.089008
H 3.452482 0.700996 -1.363501
H 3.873750 1.904794 1.450059
H 2.346927 2.843265 1.452418
H 1.452893 -0.765651 -1.677547
H 1.972583 -1.788432 -0.297681
H 2.664112 3.408137 -0.988363
H 4.298803 2.663392 -0.935387
H -2.283570 1.432539 -1.544110
H -4.151101 -2.539985 0.889253
H -4.641687 0.661205 -2.027708
H -5.579891 -1.326062 -0.812927
H 1.124136 1.393259 -0.232875
H 3.819221 -2.383404 -1.561419
H 4.848850 4.300766 0.663926


