%chk=000207337.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207337

0 1
O 0.594856 -0.338776 0.339338
O -0.972191 -2.051925 -0.997689
N -3.660948 -0.065332 0.519613
C 3.004923 -1.557607 0.325087
C 4.164751 -2.340828 -0.272202
C 2.788025 -2.448550 -0.893905
C 2.914591 -0.081357 0.194298
C 1.639900 0.545929 0.188003
C 4.040858 0.736152 0.103239
C -1.536211 -1.195132 0.012826
C 1.496835 1.931220 0.073708
C -0.759708 0.131412 0.062597
C -2.994687 -0.993981 -0.443677
C 3.914198 2.128963 -0.009528
C 2.651105 2.718227 -0.027067
C -4.692703 0.789218 -0.156612
C -4.245991 -0.821651 1.678669
C -4.012035 1.850540 -1.022084
C -4.457678 0.123487 2.861851
H 2.591232 -1.904738 1.285341
H 4.951295 -1.820324 -0.813723
H 4.574590 -3.183538 0.279244
H 2.219912 -3.369259 -0.788424
H 2.606021 -1.989967 -1.863784
H 5.034269 0.286834 0.120306
H -1.462215 -1.729687 0.985944
H -0.778371 0.671199 -0.896734
H -1.095405 0.781351 0.888384
H -3.484621 -1.987097 -0.537969
H -2.994763 -0.568787 -1.472446
H 0.519140 2.400926 0.072711
H 4.806589 2.745480 -0.082473
H 2.553830 3.799707 -0.115889
H -5.291921 1.294763 0.634956
H -5.408450 0.197230 -0.766913
H -5.198137 -1.333834 1.420929
H -3.529033 -1.619674 1.975999
H -3.272975 2.416541 -0.440153
H -3.482495 1.409322 -1.874564
H -4.744588 2.562432 -1.416838
H -3.539930 0.684558 3.085167
H -5.242078 0.862749 2.663447
H -4.739307 -0.431979 3.762401
H 0.014620 -2.039016 -0.926085


%chk=000207337-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207337

0 1
O 0.591392 -0.454749 0.107679
O -1.169783 -2.185943 -1.125070
N -3.756969 -0.030570 0.524146
C 3.089981 -1.596384 0.327356
C 4.390242 -2.344443 0.020473
C 3.180420 -2.520985 -0.910544
C 2.958449 -0.110133 0.166313
C 1.655850 0.462781 0.048026
C 4.066089 0.766543 0.131891
C -1.648293 -1.230030 -0.116523
C 1.475102 1.855567 -0.110229
C -0.782690 0.033741 -0.127640
C -3.115172 -0.929419 -0.470731
C 3.903298 2.163758 -0.027958
C 2.606092 2.703992 -0.150016
C -4.765671 0.881124 -0.082758
C -4.289597 -0.780088 1.697593
C -4.132293 2.028020 -0.893068
C -4.402915 0.084522 2.967378
H 2.483293 -2.006494 1.143384
H 5.243053 -1.781152 -0.369641
H 4.667393 -3.178023 0.672128
H 2.636421 -3.470327 -0.886951
H 3.227156 -2.042074 -1.893142
H 5.071743 0.346745 0.244397
H -1.579641 -1.686313 0.895016
H -0.832236 0.534121 -1.116327
H -1.102975 0.730973 0.668161
H -3.648542 -1.902756 -0.575405
H -3.130981 -0.452475 -1.466990
H 0.472450 2.284106 -0.198197
H 4.779815 2.819852 -0.049913
H 2.465234 3.783760 -0.271839
H -5.356295 1.321114 0.740890
H -5.488443 0.317792 -0.725932
H -5.281589 -1.243479 1.463224
H -3.597734 -1.618082 1.902728
H -3.455881 2.619307 -0.250780
H -3.549353 1.654351 -1.754638
H -4.917609 2.698078 -1.289686
H -3.416494 0.502747 3.233829
H -5.104721 0.927482 2.833941
H -4.770409 -0.523530 3.814957
H -0.182087 -2.237829 -1.024230


