%chk=000250956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250956

0 1
O 3.846883 0.174112 -0.792491
O -0.957980 -2.407584 0.557896
O -1.326366 2.208842 0.523640
N 1.266024 0.064009 0.377771
N -1.108497 -0.075773 0.666789
N -2.675033 -1.402321 -0.597393
N -3.342660 -0.319478 -1.036685
C 2.023260 1.352061 0.342162
C 2.172782 -1.122585 0.439588
C 0.203114 0.040200 1.406916
C 2.974294 1.320062 -0.865274
C 3.119442 -1.070963 -0.770545
C -1.498934 -1.370886 0.239243
C -1.745356 1.124906 0.191666
C -2.929609 0.863851 -0.669572
H 2.602380 1.535369 1.272623
H 1.290355 2.185087 0.230293
H 1.545160 -2.043877 0.395220
H 2.764651 -1.162345 1.379090
H 0.272621 -0.831928 2.101639
H 0.148150 0.978670 2.012954
H 2.421992 1.293078 -1.821170
H 3.687106 2.163263 -0.856184
H 3.928825 -1.818488 -0.697983
H 2.573023 -1.186413 -1.723212
H -3.022609 -2.314359 -0.930464
H -3.474818 1.751091 -1.024314


%chk=000250956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250956

0 1
O 3.920414 0.189955 -0.808469
O -0.950147 -2.451207 0.489688
O -1.294827 2.251050 0.414256
N 1.357310 0.062831 0.484782
N -1.108503 -0.092189 0.548215
N -2.736521 -1.389814 -0.574100
N -3.466933 -0.298984 -0.992176
C 2.078102 1.352507 0.386333
C 2.253388 -1.115623 0.491360
C 0.188113 0.016170 1.331365
C 2.989928 1.332255 -0.852576
C 3.161670 -1.071977 -0.749636
C -1.542815 -1.383676 0.183332
C -1.756074 1.108158 0.132340
C -2.992959 0.889995 -0.646108
H 2.705537 1.536628 1.291388
H 1.341271 2.171036 0.298912
H 1.639973 -2.034392 0.475107
H 2.894656 -1.132975 1.405334
H 0.200495 -0.866214 1.993550
H 0.078717 0.937682 1.928665
H 2.366735 1.271091 -1.770908
H 3.628211 2.230153 -0.893607
H 3.920888 -1.870635 -0.716547
H 2.542577 -1.179036 -1.666604
H -3.103140 -2.299944 -0.857026
H -3.557865 1.764758 -0.974666


