%chk=000195456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195456

0 1
O -2.232164 0.850486 -0.022212
O 2.035837 -0.417989 2.989523
O 1.141399 -0.732045 -0.805160
O -1.439146 1.966109 -1.825468
O -3.542245 -1.173300 1.252088
O 5.837122 0.020201 -1.139601
N 2.235260 0.445221 1.861647
N -0.639306 -1.266167 0.516074
N -5.265606 -0.779782 -0.164921
N 3.939808 -0.937417 -1.934557
C 0.873336 0.563460 1.245951
C 0.792186 1.943292 0.554928
C -0.635984 2.484502 0.447366
C 0.495794 -0.523184 0.215911
C -2.076638 -1.098342 -1.525080
C -1.316470 -2.028075 -0.559292
C -2.991858 -0.072849 -0.856232
C 3.291076 -0.246372 1.049291
C -1.421222 1.796446 -0.634817
C 3.759313 0.672746 -0.082903
C -3.923687 -0.713415 0.191529
C 4.624005 -0.092463 -1.069841
H 0.144752 0.537245 2.107930
H 1.275429 1.890590 -0.448967
H 1.404134 2.671022 1.135893
H -0.605698 3.574144 0.216325
H -1.163125 2.396094 1.424746
H -1.334027 -0.545074 -2.150744
H -2.662211 -1.711448 -2.238731
H -2.010306 -2.753414 -0.075605
H -0.558150 -2.613071 -1.131943
H -3.528857 0.533831 -1.621241
H 4.138803 -0.465326 1.740985
H 2.952874 -1.231358 0.653130
H -1.271826 -0.975867 1.276660
H 2.888576 1.119916 -0.615637
H 4.344358 1.524119 0.324536
H 2.374726 0.136320 3.759130
H -5.932759 -1.172917 0.485463
H -5.649750 -0.352638 -0.987911
H 4.442573 -1.488202 -2.610363
H 2.935176 -1.071729 -1.880480


%chk=000195456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195456

0 1
O -2.205191 0.877167 0.037919
O 1.730510 -0.620942 2.923638
O 1.104329 -0.595847 -1.065477
O -1.695436 2.061485 -1.910395
O -3.377133 -1.301363 1.386262
O 5.996089 -0.168198 -0.990164
N 2.127490 0.393754 1.850061
N -0.546166 -1.325859 0.389480
N -5.239285 -0.839535 0.077771
N 3.917137 -0.778484 -1.858802
C 0.841577 0.607688 1.079233
C 0.829414 1.994547 0.373820
C -0.588716 2.635910 0.239178
C 0.494583 -0.502919 0.058976
C -2.145741 -1.115158 -1.514785
C -1.279478 -2.072743 -0.647374
C -3.027938 -0.103306 -0.733325
C 3.254452 -0.281421 1.122240
C -1.524447 1.875801 -0.686421
C 3.948344 0.669074 0.111610
C -3.887833 -0.785352 0.347084
C 4.729010 -0.122984 -0.952664
H 0.070400 0.622282 1.868450
H 1.283454 1.920657 -0.629802
H 1.447087 2.678424 0.984252
H -0.468592 3.649714 -0.180135
H -1.054514 2.715234 1.237409
H -1.487544 -0.533997 -2.184143
H -2.811406 -1.719930 -2.161785
H -1.898289 -2.831549 -0.142823
H -0.555451 -2.582091 -1.304761
H -3.641025 0.463934 -1.459681
H 3.976513 -0.580517 1.899491
H 2.908491 -1.204791 0.618470
H -1.077952 -1.147539 1.249095
H 3.198674 1.287706 -0.406183
H 4.652891 1.337025 0.630940
H 1.982491 -0.142484 3.757379
H -5.850986 -1.315977 0.741812
H -5.653114 -0.375675 -0.729403
H 4.357141 -1.343301 -2.584328
H 2.891665 -0.735139 -1.774718


