%chk=000235997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235997

0 1
O 2.145030 0.326289 -0.655382
O -2.264705 -0.137856 0.069828
O 0.179159 0.699946 -2.408395
O 1.750338 -0.623936 1.364487
O -0.763724 1.509510 0.487611
O 1.186028 -3.146051 -1.094078
N -0.413592 -2.011046 0.079595
C -0.000371 -0.675170 -0.383816
C 0.055227 -0.633666 -1.945213
C 1.376838 -0.345596 0.255943
C -1.003501 0.394654 0.105523
C 0.262386 -3.187024 -0.303789
C 3.470924 0.797311 -0.229384
C -3.389992 0.752375 0.392448
C -0.268452 -4.434885 0.334489
C 3.313209 2.058614 0.588397
C -3.664823 1.664660 -0.780856
H 0.895095 -1.261994 -2.310353
H -0.905132 -0.977409 -2.376738
H -1.201718 -2.037995 0.727016
H 3.967698 -0.019759 0.323792
H 3.952224 0.960274 -1.210903
H -4.187791 0.008386 0.570125
H -3.143714 1.302424 1.318002
H 1.064602 1.075864 -2.154140
H 0.264431 -5.315038 -0.066008
H -0.112305 -4.439660 1.423633
H -1.338365 -4.593159 0.145154
H 2.856014 1.848405 1.567885
H 2.661473 2.789067 0.088772
H 4.279212 2.543203 0.773249
H -3.767033 1.102022 -1.718984
H -2.843009 2.382999 -0.932641
H -4.584258 2.244139 -0.635568


%chk=000235997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235997

0 1
O 2.177298 0.313870 -0.671364
O -2.317265 -0.145559 0.091692
O 0.185613 0.757948 -2.523189
O 1.639145 -0.645117 1.385505
O -0.720106 1.533536 0.393126
O 1.553924 -3.009302 -0.641370
N -0.463461 -2.036565 -0.053979
C -0.029844 -0.690141 -0.453440
C -0.008318 -0.592198 -2.029333
C 1.347098 -0.377724 0.205869
C -1.021277 0.367861 0.073895
C 0.379819 -3.128405 -0.170220
C 3.511909 0.736993 -0.128394
C -3.409893 0.826041 0.441328
C -0.178975 -4.453619 0.326999
C 3.390608 2.073107 0.607007
C -3.821577 1.627592 -0.794484
H 0.770507 -1.292178 -2.386244
H -0.997542 -0.908756 -2.397796
H -1.417316 -2.130385 0.299745
H 3.874356 -0.066810 0.534445
H 4.145119 0.802834 -1.027283
H -4.218635 0.178770 0.815483
H -3.038078 1.481657 1.247932
H 1.072108 1.059432 -2.187510
H 0.040087 -5.239545 -0.414301
H 0.336633 -4.729526 1.264015
H -1.265510 -4.426526 0.517865
H 2.732054 1.976318 1.485404
H 2.984739 2.857527 -0.054484
H 4.390284 2.393848 0.954355
H -4.159982 0.960885 -1.605900
H -2.981118 2.238541 -1.162925
H -4.655000 2.305494 -0.532749


