%chk=000200973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200973

1 1
O -0.953756 -1.540577 0.113780
O -1.236297 -0.145380 1.846839
O 3.143007 2.373934 1.853256
O 3.871859 -1.259490 -1.282078
O 4.864159 1.014657 0.064196
N -4.072030 -0.268186 0.051731
C -5.410782 -0.133111 -0.694688
C -3.270988 1.026884 -0.163222
C -3.318412 -1.482342 -0.500539
C -5.224801 0.177181 -2.182604
C -3.042678 1.325211 -1.644762
C -4.344558 -0.396411 1.560344
C -4.366938 1.425425 -2.404442
C -2.249681 -2.113581 0.395432
C -5.215552 -1.580932 1.928235
C -0.469839 -0.582967 1.009676
C 0.926291 -0.228402 0.722597
C 1.698497 -0.977628 -0.178282
C 1.459315 0.877740 1.389114
C 2.791565 1.259350 1.144685
C 3.024333 -0.605236 -0.414475
C 3.597879 0.522615 0.236635
C 4.520875 2.835259 1.801532
C 3.416808 -2.509895 -1.860696
C 5.830803 0.206248 -0.662963
H -5.999225 0.682384 -0.210861
H -6.001923 -1.067870 -0.564816
H -2.300064 0.954214 0.384119
H -3.827212 1.869694 0.311090
H -2.829368 -1.184117 -1.467592
H -4.064501 -2.271222 -0.762367
H -6.228573 0.324462 -2.642361
H -4.793099 -0.688671 -2.723193
H -2.383752 0.559039 -2.106914
H -2.475401 2.278878 -1.736379
H -4.817052 0.549863 1.916594
H -3.349760 -0.454181 2.091145
H -4.173137 1.563650 -3.489506
H -4.921325 2.335261 -2.094698
H -2.094554 -3.178400 0.110332
H -2.464157 -2.053241 1.481693
H -5.267890 -1.677579 3.029770
H -4.838429 -2.544267 1.563969
H -6.257121 -1.479870 1.593877
H 1.256236 -1.836573 -0.680892
H 0.870671 1.451890 2.110244
H 5.194505 2.056650 2.172205
H 4.778115 3.133444 0.778922
H 4.484924 3.697832 2.479356
H 3.196087 -3.239142 -1.076137
H 2.562242 -2.334951 -2.519569
H 4.301242 -2.813216 -2.439683
H 5.936617 -0.776694 -0.195101
H 5.527014 0.120757 -1.712871
H 6.740911 0.809312 -0.553776


%chk=000200973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200973

1 1
O -0.998363 -1.515177 0.190673
O -1.135819 -0.107032 2.049776
O 3.311146 2.331163 1.994989
O 3.727569 -0.943521 -1.637204
O 4.838409 1.179608 -0.123645
N -4.113686 -0.298182 0.038471
C -5.433677 -0.186152 -0.767955
C -3.208215 0.895480 -0.374818
C -3.466748 -1.668045 -0.262556
C -5.212687 -0.121768 -2.289538
C -2.945794 0.964929 -1.884948
C -4.414328 -0.130966 1.555711
C -4.264824 1.032550 -2.687121
C -2.280284 -2.120227 0.600385
C -5.286584 -1.226830 2.178275
C -0.438500 -0.558573 1.098189
C 0.935549 -0.184308 0.754233
C 1.651405 -0.823460 -0.295929
C 1.542941 0.848832 1.506206
C 2.859446 1.265174 1.223608
C 2.963414 -0.412052 -0.589870
C 3.594656 0.640024 0.161553
C 4.737415 2.476764 2.363659
C 3.129108 -2.004578 -2.455040
C 5.967995 0.353800 -0.619077
H -5.919885 0.739477 -0.410175
H -6.064404 -1.044991 -0.486474
H -2.287762 0.820883 0.219099
H -3.756517 1.796142 -0.042036
H -3.161015 -1.659136 -1.319263
H -4.275133 -2.411844 -0.152725
H -6.206716 0.019929 -2.752630
H -4.835724 -1.087668 -2.673919
H -2.318197 0.116738 -2.215783
H -2.340878 1.872855 -2.063407
H -4.912599 0.850840 1.643219
H -3.430783 -0.058651 2.051974
H -4.057196 0.994319 -3.770337
H -4.764385 2.002562 -2.493434
H -2.154694 -3.201332 0.413723
H -2.437768 -1.958041 1.679347
H -5.420055 -0.975489 3.245293
H -4.820974 -2.226244 2.145676
H -6.295475 -1.288088 1.736889
H 1.169173 -1.619537 -0.865058
H 1.006738 1.330986 2.327545
H 5.153841 1.515609 2.716475
H 5.326589 2.853970 1.515023
H 4.725570 3.205792 3.187849
H 2.893586 -2.896298 -1.843575
H 2.216521 -1.644414 -2.967364
H 3.897372 -2.257002 -3.199604
H 6.062042 -0.571602 -0.024464
H 5.829677 0.105871 -1.680447
H 6.850606 0.994612 -0.473541


