%chk=000206721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206721

0 1
P 1.837024 -1.815207 0.191877
O 3.277510 -2.084436 -0.021049
O -4.709263 -0.086710 -0.626227
N 1.166087 -1.605781 1.811610
N 0.910090 -3.249849 -0.299196
N 1.061663 -0.530443 -0.796088
N 2.609219 0.481335 0.494476
N 3.199011 2.807169 0.356900
C 2.118209 -1.369248 2.940305
C 1.416080 -2.702210 2.801207
C -0.481439 -3.253684 -0.829038
C 0.689456 -3.607324 -1.727008
C 1.632286 0.693706 -0.462889
C 1.362612 1.972766 -1.005886
C 0.291201 2.162441 -2.036479
C 2.192744 3.019445 -0.545933
C 3.394106 1.541070 0.847072
C -1.040159 1.587900 -1.624918
C 2.043177 4.427735 -1.017102
C 4.496076 1.308778 1.820754
C -1.753289 0.757882 -2.509393
C -1.582992 1.880230 -0.366199
C -2.975540 0.209640 -2.139131
C -2.810460 1.344299 0.028780
C -3.497601 0.507430 -0.861993
C -5.332983 0.031596 0.703938
C -4.644862 -0.939458 1.650077
C -6.778984 -0.332216 0.401432
H 1.775047 -0.636916 3.678587
H 3.198385 -1.284101 2.771085
H 1.972628 -3.608510 2.539254
H 0.556777 -2.944885 3.435969
H -1.060092 -2.341532 -0.983724
H -1.119768 -4.048379 -0.423629
H 0.895672 -4.655703 -1.975738
H 0.992039 -2.948658 -2.545058
H 0.102112 -0.557403 -1.159690
H 0.149888 3.240970 -2.269322
H 0.637293 1.706152 -2.991814
H 1.021907 4.802250 -0.861043
H 2.281249 4.515980 -2.087366
H 2.726785 5.110983 -0.482119
H 5.254135 2.107703 1.775148
H 4.112747 1.275694 2.851436
H 5.001103 0.346178 1.622373
H -1.347126 0.540751 -3.497757
H -1.035001 2.528571 0.319633
H -3.542216 -0.432027 -2.809721
H -3.215237 1.580937 1.007905
H -5.235208 1.085901 1.042229
H -4.665040 -1.963891 1.254119
H -3.587593 -0.685320 1.801471
H -5.127692 -0.956837 2.633238
H -6.851165 -1.323613 -0.067409
H -7.227385 0.379268 -0.304626
H -7.388626 -0.344621 1.310869


%chk=000206721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206721

0 1
P 1.812743 -2.068936 0.196180
O 3.297773 -2.479010 -0.217490
O -4.815163 -0.125198 -0.761475
N 1.369631 -2.062575 1.930336
N 0.604113 -3.221199 -0.378534
N 1.244533 -0.503290 -0.439471
N 2.869667 0.694098 0.748426
N 3.208488 3.070253 0.425135
C 2.452773 -1.681536 2.924457
C 2.055912 -3.134268 2.775164
C -0.846990 -2.969361 -0.649713
C 0.110086 -3.321167 -1.787557
C 1.878971 0.710103 -0.190863
C 1.506306 1.904544 -0.893860
C 0.471752 1.871338 -2.008604
C 2.208751 3.080108 -0.524702
C 3.509019 1.872138 1.008193
C -0.910701 1.331884 -1.622117
C 1.931112 4.430510 -1.155971
C 4.626997 1.839103 2.020953
C -1.657801 0.542168 -2.538029
C -1.503843 1.629431 -0.370619
C -2.946622 0.073258 -2.220596
C -2.792488 1.162659 -0.031080
C -3.525646 0.380441 -0.962317
C -5.492462 0.079817 0.554274
C -4.929974 -0.901921 1.597204
C -6.981066 -0.137625 0.266993
H 2.077511 -1.092374 3.766734
H 3.415761 -1.364635 2.511094
H 2.767123 -3.798894 2.269587
H 1.392360 -3.607422 3.504832
H -1.243878 -1.946357 -0.603880
H -1.521055 -3.732348 -0.247992
H 0.118450 -4.331391 -2.207654
H 0.369258 -2.526260 -2.500777
H 0.360799 -0.462040 -0.957399
H 0.352953 2.891214 -2.417238
H 0.865340 1.257210 -2.845557
H 0.863141 4.709506 -1.090786
H 2.211871 4.443420 -2.226227
H 2.531165 5.190097 -0.632787
H 5.056672 2.844741 2.138519
H 4.254893 1.481494 2.998311
H 5.414714 1.135466 1.697095
H -1.228914 0.299876 -3.518796
H -0.943920 2.224382 0.360565
H -3.524433 -0.529227 -2.928155
H -3.204554 1.410092 0.951290
H -5.325049 1.129511 0.872917
H -5.117878 -1.941345 1.275106
H -3.843063 -0.775976 1.740847
H -5.425469 -0.745868 2.572869
H -7.154037 -1.163176 -0.103461
H -7.338149 0.572663 -0.497726
H -7.572886 0.007670 1.188547


