%chk=000222182.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222182

0 1
O -0.799831 -1.598235 0.245071
O -1.555626 -0.919027 -1.848887
N 4.392147 -0.501933 0.697621
C -3.720600 0.291407 -0.048482
C -4.532058 1.359536 0.733531
C -4.345580 -1.037234 0.456025
C -2.181436 0.383585 0.154436
C -5.987348 0.801626 0.785447
C -5.868558 -0.742592 0.534483
C -1.599529 1.745823 -0.322881
C -1.504162 -0.747464 -0.612677
C -0.081203 1.900364 -0.075886
C 5.804628 -0.269412 0.277463
C 3.944799 0.858225 1.127131
C 5.819668 1.099083 -0.481928
C 4.648208 1.899123 0.176115
C 3.538288 -1.095465 -0.371501
C 2.231749 -1.684900 0.197288
C 1.319060 -2.255487 -0.910115
C -0.050275 -2.724917 -0.398221
C 0.445247 3.290691 -0.491148
H -3.929821 0.393353 -1.133760
H -4.117787 1.449186 1.758385
H -4.488148 2.361456 0.271195
H -4.111539 -1.895886 -0.198648
H -3.942265 -1.267191 1.462803
H -1.952320 0.246426 1.229149
H -6.466599 1.025502 1.755483
H -6.611420 1.272255 0.003857
H -6.357099 -1.012582 -0.420065
H -6.361403 -1.333575 1.327049
H -2.133795 2.557494 0.207608
H -1.814856 1.864654 -1.403654
H 0.468718 1.118759 -0.638056
H 0.134057 1.725018 0.998282
H 6.430939 -0.196773 1.188290
H 6.178487 -1.115503 -0.323954
H 4.271392 1.023623 2.171215
H 2.844675 0.932715 1.105040
H 6.790767 1.616060 -0.386743
H 5.628573 0.942384 -1.559042
H 5.018361 2.766959 0.750420
H 3.950205 2.284254 -0.588596
H 3.284972 -0.361940 -1.179452
H 4.120865 -1.906412 -0.850822
H 2.491322 -2.470643 0.932659
H 1.678732 -0.904716 0.754082
H 1.159614 -1.502891 -1.706559
H 1.810817 -3.125118 -1.394018
H 0.043906 -3.465601 0.413294
H -0.665839 -3.127588 -1.222192
H 0.264090 3.477130 -1.566447
H -0.059471 4.094086 0.078227
H 1.532584 3.382010 -0.310012


%chk=000222182-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222182

0 1
O -0.802700 -1.598717 0.232941
O -1.555979 -0.910794 -1.865962
N 4.385904 -0.504167 0.707211
C -3.719193 0.292865 -0.047980
C -4.525872 1.358852 0.742947
C -4.340408 -1.038319 0.454028
C -2.178875 0.386746 0.146328
C -5.977803 0.793132 0.826115
C -5.862353 -0.743705 0.535165
C -1.601764 1.749296 -0.335399
C -1.504241 -0.743913 -0.623370
C -0.083384 1.908401 -0.091563
C 5.800901 -0.273094 0.294967
C 3.937656 0.856648 1.133180
C 5.823234 1.096617 -0.462866
C 4.642381 1.894857 0.180775
C 3.537472 -1.097995 -0.366036
C 2.227352 -1.685867 0.196093
C 1.319782 -2.255480 -0.915913
C -0.052180 -2.724739 -0.410784
C 0.440623 3.295503 -0.520605
H -3.934637 0.398295 -1.131726
H -4.093534 1.458198 1.759282
H -4.496712 2.358066 0.273713
H -4.106924 -1.894805 -0.203692
H -3.935550 -1.270670 1.459690
H -1.944811 0.251366 1.220330
H -6.424540 0.989766 1.817397
H -6.630234 1.280237 0.078652
H -6.345712 -0.985998 -0.429592
H -6.361149 -1.354626 1.308631
H -2.137337 2.561055 0.193529
H -1.819055 1.863989 -1.416218
H 0.466971 1.122394 -0.647180
H 0.133537 1.743604 0.983955
H 6.422450 -0.202912 1.209209
H 6.176644 -1.118898 -0.305689
H 4.263385 1.024193 2.177245
H 2.837569 0.931211 1.109992
H 6.792354 1.614619 -0.353878
H 5.646974 0.941464 -1.542660
H 5.002578 2.769435 0.751104
H 3.947725 2.269480 -0.592215
H 3.289112 -0.365156 -1.176177
H 4.122051 -1.909890 -0.841270
H 2.482187 -2.471775 0.932945
H 1.672423 -0.904934 0.749925
H 1.164274 -1.502415 -1.712623
H 1.813539 -3.125022 -1.397959
H 0.037827 -3.467312 0.399401
H -0.665091 -3.124266 -1.238184
H 0.259092 3.470804 -1.597683
H -0.065466 4.103650 0.040758
H 1.527808 3.390425 -0.340381


