%chk=000276437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276437

0 1
O 1.382399 0.790272 -1.809154
O 3.541250 0.892245 0.691490
O -2.486009 -0.877489 2.785169
O -3.722282 -1.496935 1.131057
N -2.699102 -1.011496 1.587508
N -0.796154 -0.357460 -4.113238
C -1.769590 -0.672931 -0.737642
C 0.443063 0.371553 -0.921899
C -0.703568 -0.201932 -1.537634
C 2.570729 1.499637 -1.343670
C -1.651827 -0.557328 0.669508
C 3.571744 0.540126 -0.709958
C 0.547648 0.467546 0.478294
C -0.494371 0.008977 1.258147
C -2.972667 -1.268343 -1.364432
C 4.328122 0.010365 1.540713
C 4.109504 0.565213 2.935530
C -0.756095 -0.287531 -2.958944
H 2.923361 1.919601 -2.307627
H 2.280879 2.314137 -0.651900
H 4.596822 0.692652 -1.093497
H 3.276277 -0.516626 -0.847689
H 1.455184 0.878610 0.943713
H -0.439454 0.074843 2.354962
H -2.948823 -1.313042 -2.461785
H -3.153621 -2.299027 -1.001108
H -3.891661 -0.717478 -1.081984
H 3.952619 -1.021612 1.429299
H 5.383832 0.066370 1.223082
H 4.721349 0.037790 3.676522
H 4.367742 1.632908 2.981398
H 3.058901 0.482082 3.242969


%chk=000276437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276437

0 1
O 1.451116 0.609991 -1.717663
O 3.456343 0.755671 0.703517
O -2.870837 -0.183646 2.850778
O -4.006136 -1.227054 1.181494
N -2.970172 -0.592898 1.625498
N -0.496755 -1.052642 -3.961138
C -1.838070 -0.736427 -0.654268
C 0.411222 0.341251 -0.844895
C -0.682386 -0.386482 -1.418682
C 2.511095 1.589082 -1.375224
C -1.841083 -0.312250 0.709595
C 3.729502 0.945468 -0.720346
C 0.374552 0.724038 0.517002
C -0.753038 0.397194 1.277727
C -2.957423 -1.507208 -1.322689
C 4.543949 0.048625 1.406585
C 4.139364 -0.083894 2.873316
C -0.584936 -0.753206 -2.806700
H 2.793992 2.003187 -2.356995
H 2.102987 2.396883 -0.740065
H 4.604837 1.620964 -0.857017
H 3.955833 -0.021515 -1.218860
H 1.239875 1.203987 0.979047
H -0.814380 0.671012 2.333751
H -2.708943 -1.724290 -2.373153
H -3.157983 -2.455232 -0.795387
H -3.905863 -0.944872 -1.285274
H 4.694659 -0.949156 0.940409
H 5.488188 0.627289 1.301690
H 4.924552 -0.616166 3.439834
H 3.994156 0.910379 3.329691
H 3.197983 -0.652386 2.965623


