%chk=000250863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250863

0 1
O -2.944709 0.023067 -0.000792
O -0.941319 -1.086970 -0.001560
O 6.765885 -3.396050 -0.000488
O 4.586195 -3.892270 -0.001601
N 4.309402 2.717191 0.001426
N -1.089430 1.270681 -0.000198
C 2.638816 1.138330 0.000364
C 2.906298 2.548389 0.001093
C 3.920735 0.464464 0.000271
C 1.310705 0.684257 -0.000083
C 0.294559 1.635871 0.000198
C 4.907460 1.459150 0.000922
C 1.872628 3.502683 0.001376
C 0.571113 3.040546 0.000923
C 4.112642 -0.963099 -0.000387
C -3.633582 -1.280448 -0.001225
C -5.086821 -0.909273 -0.000389
C -1.561392 -0.046409 -0.001201
C 5.317793 -1.567323 -0.000126
C -5.766575 -0.735734 1.214407
C -5.767768 -0.734917 -1.214398
C -7.123965 -0.403240 1.212112
C -7.125157 -0.402429 -1.210545
C -7.804360 -0.238412 0.001173
C 5.431407 -3.023695 -0.000857
H 1.094184 -0.389669 -0.000657
H 4.784892 3.599202 0.001905
H 5.980003 1.335039 0.001043
H 2.094007 4.567016 0.001925
H -0.253893 3.750958 0.001112
H 3.190163 -1.567374 -0.001150
H -1.784182 2.023433 0.000305
H -3.310183 -1.833304 0.899576
H -3.310942 -1.832260 -0.902935
H 6.264452 -1.026891 0.000629
H -5.236930 -0.855026 2.158823
H -5.239055 -0.853573 -2.159417
H -7.651575 -0.270956 2.155473
H -7.653694 -0.269516 -2.153298
H -8.862325 0.019145 0.001779
H 6.878215 -4.381985 -0.000927


%chk=000250863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250863

0 1
O -2.967184 0.105660 -0.004957
O -0.941494 -1.105516 -0.005419
O 6.843230 -3.508478 0.003835
O 4.541579 -3.873085 0.000663
N 4.373269 2.754559 0.002261
N -1.031324 1.266821 -0.003338
C 2.723853 1.170856 0.000041
C 2.977823 2.582733 0.000811
C 4.021191 0.494703 0.001150
C 1.391799 0.691244 -0.001442
C 0.343075 1.639674 -0.002039
C 4.996079 1.512626 0.002479
C 1.935838 3.532008 0.000177
C 0.617947 3.045893 -0.001234
C 4.233533 -0.937896 0.000990
C -3.700676 -1.204072 -0.006896
C -5.177045 -0.894698 -0.002428
C -1.561040 -0.012230 -0.004724
C 5.441985 -1.592706 0.002353
C -5.878145 -0.750273 1.221337
C -5.884466 -0.744120 -1.221807
C -7.259801 -0.456265 1.227842
C -7.266146 -0.450105 -1.219656
C -7.956879 -0.305182 0.006261
C 5.501084 -3.057166 0.002048
H 1.157978 -0.375437 -0.002094
H 4.854202 3.651954 0.003049
H 6.081216 1.429190 0.003550
H 2.130396 4.609461 0.000773
H -0.217712 3.756281 -0.001742
H 3.335826 -1.573041 -0.000312
H -1.724592 2.017854 -0.003133
H -3.384796 -1.771804 0.886260
H -3.389082 -1.766744 -0.904755
H 6.402033 -1.067209 0.003767
H -5.339137 -0.867996 2.169204
H -5.350382 -0.857051 -2.173039
H -7.791788 -0.349285 2.179632
H -7.803057 -0.338338 -2.168125
H -9.029476 -0.080826 0.009601
H 6.833985 -4.503394 0.003657


