%chk=000240639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240639

0 1
O -3.890652 1.562837 0.000677
O 2.350306 -1.091576 0.000231
O -7.707127 -1.651241 -0.000026
O 7.026973 -2.830508 0.000302
O -6.035929 -3.148028 -0.000630
O 7.504047 -0.638959 -0.000016
N -2.017351 0.217924 -0.000007
N 0.254991 0.725711 -0.000360
N 2.621515 1.217685 -0.000352
N 1.103537 3.019306 0.000292
C -1.028017 1.233052 0.000146
C 1.271800 1.639066 -0.000384
C -1.283033 2.614986 0.000649
C -0.173180 3.472528 0.000741
C -3.416134 0.446443 0.000322
C 3.080847 -0.132953 -0.000160
C -4.222884 -0.814627 -0.000117
C 4.581036 -0.211537 -0.000201
C -5.556683 -0.751371 0.000200
C 5.182746 -1.403248 0.000271
C -6.376677 -1.989035 -0.000217
C 6.663019 -1.506753 0.000237
H -2.304895 3.005073 0.000987
H -1.649083 -0.748130 -0.000418
H 3.305179 1.990313 -0.000269
H -0.297336 4.565080 0.001127
H -3.687263 -1.771762 -0.000687
H 5.151516 0.724074 -0.000632
H -6.116632 0.196907 0.000775
H 4.633487 -2.357523 0.000706
H -8.306081 -2.449851 -0.000280
H 8.016956 -2.956382 0.000193


%chk=000240639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240639

0 1
O -3.994736 1.667404 -0.000160
O 2.334000 -1.263028 0.000590
O -7.761602 -1.721787 -0.000024
O 7.159559 -2.809115 -0.000703
O -5.927225 -3.160786 0.000002
O 7.475296 -0.499966 -0.000489
N -2.074029 0.310298 -0.000077
N 0.193259 0.715959 0.000405
N 2.558273 1.098228 0.000744
N 1.169076 2.952179 0.000664
C -1.055535 1.277182 0.000141
C 1.238349 1.575904 0.000747
C -1.262455 2.680948 0.000147
C -0.091256 3.470955 0.000372
C -3.461682 0.517371 -0.000319
C 3.048476 -0.225573 0.000789
C -4.247208 -0.752430 -0.000209
C 4.548036 -0.264429 0.000421
C -5.607724 -0.731518 -0.000154
C 5.216020 -1.449620 0.000194
C -6.387081 -1.993175 -0.000065
C 6.697758 -1.485751 -0.000122
H -2.264730 3.106846 -0.000043
H -1.707123 -0.648897 -0.000007
H 3.238732 1.864733 0.000758
H -0.158702 4.563500 0.000369
H -3.723847 -1.718396 -0.000176
H 5.123409 0.672080 0.000347
H -6.153901 0.217358 -0.000181
H 4.671083 -2.399225 0.000259
H -8.268742 -2.578684 0.000049
H 8.155249 -2.811063 -0.001169


