%chk=000218278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218278

0 1
O 4.880770 -0.523138 -0.654938
O 5.163782 1.607873 -0.056870
N -1.182132 0.472438 0.570046
N -1.385678 -3.674299 -0.330268
C -1.429658 -0.863921 0.162699
C -0.231839 -1.464547 -0.198020
C -2.750190 -1.542392 0.162085
C -0.157690 -2.878233 -0.664447
C 0.815297 -0.488251 -0.051685
C -2.626873 -2.889316 -0.599039
C 0.188793 0.726876 0.416259
C -2.203565 1.467007 0.944302
C -2.673459 2.270506 -0.279622
C 2.197840 -0.510706 -0.262129
C 0.937394 1.898454 0.660822
C -1.340788 -4.172454 1.076233
C -3.741147 3.298553 0.113442
C 2.929427 0.650906 -0.014759
C 2.299293 1.844540 0.442214
C -4.210983 4.104086 -1.094886
C 4.384069 0.693424 -0.216555
H -3.087933 -1.722207 1.203740
H -3.531363 -0.917057 -0.312719
H -0.048965 -2.904802 -1.775738
H 0.739589 -3.389734 -0.253160
H -3.503195 -3.529967 -0.367741
H -2.654031 -2.694387 -1.694953
H -3.061779 0.943687 1.423566
H -1.776982 2.148173 1.717210
H -3.067845 1.586646 -1.056893
H -1.809183 2.779145 -0.753146
H 2.694528 -1.418456 -0.613217
H 0.453836 2.806602 1.005990
H -1.228452 -3.386130 1.837551
H -0.492905 -4.870159 1.174828
H -2.256281 -4.743504 1.293051
H -4.607134 2.788881 0.580343
H -3.340600 3.986118 0.884974
H 2.925714 2.724709 0.615912
H -4.972591 4.839196 -0.809202
H -3.385451 4.655023 -1.561413
H -4.650555 3.461423 -1.866633
H 5.864114 -0.493707 -0.791735


%chk=000218278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218278

0 1
O 4.968138 -0.508188 -0.660618
O 5.162225 1.714744 -0.026792
N -1.184950 0.443275 0.509423
N -1.391695 -3.711487 -0.261994
C -1.424564 -0.899084 0.127661
C -0.220387 -1.510299 -0.218770
C -2.764861 -1.580964 0.137302
C -0.165668 -2.962558 -0.660735
C 0.821622 -0.514731 -0.076152
C -2.616484 -2.954308 -0.610213
C 0.181936 0.701649 0.376988
C -2.207057 1.431909 0.886003
C -2.687644 2.301425 -0.301058
C 2.219706 -0.524102 -0.275835
C 0.913852 1.887148 0.623888
C -1.364195 -4.185726 1.138892
C -3.740960 3.346402 0.130465
C 2.956006 0.659698 -0.025821
C 2.302166 1.853590 0.420635
C -4.225606 4.219998 -1.046742
C 4.421102 0.714706 -0.215152
H -3.114325 -1.749510 1.177477
H -3.545358 -0.975652 -0.366146
H -0.065140 -3.026408 -1.763964
H 0.714515 -3.478153 -0.232887
H -3.497888 -3.586969 -0.398911
H -2.592234 -2.762624 -1.700040
H -3.065711 0.893257 1.327119
H -1.792064 2.079812 1.681827
H -3.111433 1.644322 -1.086292
H -1.816436 2.812881 -0.754869
H 2.745412 -1.419698 -0.618536
H 0.425461 2.806856 0.962207
H -1.277151 -3.375036 1.901738
H -0.506536 -4.868387 1.274868
H -2.287586 -4.756937 1.345289
H -4.608746 2.829073 0.589094
H -3.312569 3.996486 0.920765
H 2.918297 2.740754 0.597859
H -4.977368 4.959539 -0.716559
H -3.383690 4.773555 -1.502332
H -4.686113 3.599680 -1.838228
H 5.949178 -0.383032 -0.765353


