%chk=000211437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211437

2 1
N -1.820450 -0.595999 0.204655
N 0.696313 -2.339708 0.297890
C -2.488785 0.660264 -0.491342
C -0.513722 -0.165661 0.871754
C -1.468616 -1.633149 -0.863445
C 0.325751 -1.331363 1.386566
C -0.615851 -2.793432 -0.349525
C 1.666990 -1.730330 -0.785845
C -3.763211 0.254791 -1.244373
C -2.787290 1.758955 0.538175
C -2.758507 -1.196073 1.225456
C 1.340175 -3.537377 0.967388
C -4.318870 1.488424 -1.984098
C -3.341770 2.994828 -0.198435
C -4.584872 2.647977 -1.021254
C 2.947987 -1.175825 -0.150708
C 1.987765 -2.779847 -1.836852
C 2.840405 0.237692 0.358293
C 2.404947 1.265922 -0.492298
C 3.241306 0.539482 1.667905
C 2.362242 2.584043 -0.028206
C 3.197088 1.861091 2.125206
C 2.750078 2.882999 1.282157
H -1.724114 1.034994 -1.224672
H -0.739252 0.524227 1.731492
H 0.080959 0.469853 0.159777
H -0.962453 -1.115062 -1.718120
H -2.416411 -2.051173 -1.303984
H 1.264169 -0.916946 1.857237
H -0.193245 -1.862172 2.223399
H -1.190257 -3.426561 0.372555
H -0.385803 -3.482831 -1.211371
H 1.090168 -0.890800 -1.261423
H -4.546971 -0.116440 -0.550841
H -3.585162 -0.550281 -1.981387
H -1.890006 2.059501 1.111128
H -3.543468 1.428453 1.280987
H -2.339268 -2.076654 1.737778
H -3.030261 -0.457413 2.009972
H -3.718602 -1.508859 0.762014
H 1.525171 -4.363877 0.250451
H 2.330815 -3.272205 1.397307
H 0.728760 -3.954461 1.789172
H -5.260931 1.208785 -2.504867
H -3.625775 1.806129 -2.788109
H -2.563654 3.443742 -0.846963
H -3.591855 3.782207 0.545951
H -4.917783 3.542156 -1.593641
H -5.436958 2.408275 -0.352832
H 3.765204 -1.179820 -0.925061
H 3.360821 -1.857850 0.623911
H 2.690277 -3.557921 -1.495853
H 2.502422 -2.312237 -2.702768
H 1.115108 -3.288071 -2.268175
H 2.168832 1.061890 -1.534959
H 3.642840 -0.233607 2.323367
H 2.056032 3.390003 -0.700369
H 3.536141 2.098782 3.138431
H 2.736207 3.918237 1.636099


%chk=000211437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211437

2 1
N -1.828937 -0.698070 0.309614
N 0.702204 -2.484139 0.278350
C -2.439847 0.644657 -0.364961
C -0.505085 -0.326956 1.000196
C -1.504071 -1.698387 -0.810672
C 0.336751 -1.531056 1.431192
C -0.636517 -2.885799 -0.370540
C 1.700353 -1.823144 -0.792267
C -3.687835 0.358939 -1.225452
C -2.718560 1.746679 0.678040
C -2.821884 -1.293296 1.302304
C 1.334491 -3.743800 0.881431
C -4.101470 1.667803 -1.965359
C -3.135757 3.053233 -0.062704
C -4.358411 2.823493 -0.975596
C 2.918299 -1.111263 -0.128454
C 2.156856 -2.866244 -1.830593
C 2.705277 0.345259 0.285651
C 2.291361 1.307059 -0.675668
C 2.977900 0.775848 1.608779
C 2.135183 2.665200 -0.314479
C 2.822641 2.134445 1.972647
C 2.393169 3.080967 1.014041
H -1.607877 0.970899 -1.024278
H -0.738499 0.257368 1.903763
H 0.058046 0.330486 0.315974
H -1.037720 -1.123056 -1.627208
H -2.452812 -2.105921 -1.193456
H 1.266070 -1.147560 1.877968
H -0.177564 -2.144527 2.191038
H -1.161039 -3.522378 0.362582
H -0.428033 -3.510286 -1.253133
H 1.079427 -1.057251 -1.289409
H -4.536412 0.040181 -0.590459
H -3.510080 -0.424789 -1.984105
H -1.834481 1.968537 1.302656
H -3.550926 1.449751 1.344410
H -2.419393 -2.214862 1.747576
H -3.012783 -0.560590 2.098383
H -3.761138 -1.522580 0.779674
H 1.457574 -4.505067 0.099244
H 2.313632 -3.492468 1.312646
H 0.675372 -4.133957 1.672721
H -5.005776 1.457778 -2.562945
H -3.305953 1.953906 -2.682115
H -2.280895 3.428111 -0.660745
H -3.355209 3.826098 0.694695
H -4.587336 3.748293 -1.533585
H -5.251013 2.598677 -0.359201
H 3.717755 -1.142478 -0.894163
H 3.319261 -1.706356 0.713720
H 2.929175 -3.546285 -1.434284
H 2.620776 -2.318136 -2.669285
H 1.344548 -3.468752 -2.271522
H 2.154335 1.016240 -1.726524
H 3.362330 0.063044 2.351317
H 1.852783 3.403285 -1.072613
H 3.062172 2.456905 2.991038
H 2.296372 4.136009 1.288822


