%chk=000187667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187667

0 1
O -1.471062 -1.800339 -1.255927
O -0.731661 1.346570 1.695431
O 2.458407 -3.267360 -0.383536
O 2.525290 -1.993482 1.460984
O 3.556982 2.822644 0.825661
O 3.965604 2.024322 -1.223878
N -2.542897 0.774750 0.624614
N -0.008885 -0.983788 0.299632
N -1.732773 1.694591 1.112995
C -2.428106 -0.717049 0.713798
C -3.792603 -1.252887 0.243612
C -4.471351 -0.110964 -0.533984
C -3.791044 1.194763 -0.095498
C -1.289592 -1.215501 -0.205741
C 1.188327 -1.275218 -0.508440
C 1.940710 -0.000734 -0.929937
C 2.343411 0.895682 0.242013
C 2.106851 -2.160523 0.341533
C 3.352923 1.913778 -0.187785
H -2.215330 -1.015398 1.773074
H -3.669779 -2.148684 -0.401012
H -4.404013 -1.565253 1.108663
H -4.349022 -0.267487 -1.624120
H -5.557817 -0.084589 -0.342353
H -3.527904 1.842603 -0.959035
H -4.430864 1.791679 0.589973
H 0.879387 -1.850785 -1.437837
H 0.138879 -0.416283 1.147770
H 2.842109 -0.283491 -1.521147
H 1.305109 0.573198 -1.639388
H 1.456008 1.409020 0.689811
H 2.764949 0.298074 1.090315
H 3.066595 -3.883353 0.110994
H 4.229663 3.516395 0.590147


%chk=000187667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187667

0 1
O -1.373037 -1.554825 -1.495595
O -0.939563 0.299359 2.616205
O 3.279440 -2.720366 0.099338
O 1.972800 -2.304208 1.975969
O 3.429199 2.853213 0.116464
O 2.228053 2.408385 -1.818650
N -2.440060 0.594731 0.983235
N -0.066017 -1.256186 0.412738
N -1.735779 1.136741 2.006211
C -2.485917 -0.858933 0.610998
C -3.816738 -0.959773 -0.162737
C -3.982296 0.441199 -0.816036
C -3.436207 1.425951 0.245654
C -1.260157 -1.256106 -0.267043
C 1.189914 -1.586864 -0.266358
C 1.839650 -0.351154 -0.962495
C 2.248080 0.756397 0.028845
C 2.140193 -2.227722 0.740730
C 2.605282 2.047028 -0.682025
H -2.455178 -1.446920 1.547905
H -3.765567 -1.757201 -0.919867
H -4.643925 -1.171127 0.538088
H -3.373308 0.488659 -1.734595
H -5.028726 0.665178 -1.079012
H -2.945328 2.313871 -0.184707
H -4.220204 1.760394 0.949417
H 0.968388 -2.324795 -1.060411
H -0.070032 -0.991590 1.413577
H 2.719635 -0.695244 -1.534023
H 1.109647 0.044403 -1.689768
H 1.412021 0.989459 0.720386
H 3.099005 0.458816 0.666993
H 3.891728 -3.124564 0.772247
H 3.611506 3.708697 -0.360275


