%chk=000201959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201959

0 1
N -0.951435 -1.040948 -0.500163
N -3.701390 -0.162215 -0.235637
N 4.289596 0.665933 -0.606261
N 4.708859 -1.516061 0.358948
N 6.168231 0.369766 0.956639
N 5.711124 2.481036 0.049427
N 6.573687 -1.803219 1.793248
C -2.090779 -1.914446 -0.935149
C -1.329512 0.397775 -0.689290
C -3.330172 -1.602458 -0.071958
C -2.564512 0.720029 0.175125
C 0.297831 -1.379745 -1.259170
C 1.510418 -0.832906 -0.487337
C -5.013628 0.228901 0.151193
C 2.820237 -1.222457 -1.185787
C -5.312571 1.588398 0.408169
C -6.070734 -0.712348 0.163759
C 3.999850 -0.660635 -0.437546
C -6.625127 1.982265 0.658646
C -7.376218 -0.296945 0.416522
C -7.665273 1.047755 0.668491
C 5.378002 1.151081 0.116974
C 5.796436 -0.958983 1.030517
C 5.033247 3.420567 -0.862696
H -1.799056 -2.975002 -0.776038
H -2.343732 -1.794821 -2.011320
H -1.536291 0.655409 -1.751237
H -0.476770 1.029300 -0.356019
H -4.176990 -2.244646 -0.404457
H -3.120877 -1.849168 0.993473
H -2.317828 0.589080 1.252887
H -2.848115 1.786118 0.023639
H 0.294218 -0.993383 -2.300759
H 0.378931 -2.487043 -1.331097
H 1.497177 -1.224416 0.551408
H 1.446365 0.270359 -0.393578
H 2.910015 -2.329629 -1.250645
H 2.832041 -0.841199 -2.229927
H -4.521956 2.335570 0.396907
H -5.872611 -1.762734 -0.038428
H -6.841180 3.033066 0.850853
H -8.180794 -1.032120 0.418994
H -8.684453 1.362434 0.867796
H 6.541030 2.806543 0.539595
H 6.263207 -2.747685 1.962148
H 7.294690 -1.421861 2.384957
H 5.566661 3.496760 -1.826799
H 4.980049 4.418037 -0.396550
H 3.998100 3.089586 -1.085471


%chk=000201959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201959

0 1
N -0.972915 -1.037951 -0.545776
N -3.730260 -0.151175 -0.217055
N 4.339803 0.613764 -0.613679
N 4.775367 -1.518480 0.462990
N 6.210961 0.405177 0.947637
N 5.764096 2.435717 -0.106316
N 6.575236 -1.679461 1.954510
C -2.097708 -1.838854 -1.080154
C -1.326702 0.394565 -0.665429
C -3.386374 -1.588822 -0.280158
C -2.591322 0.721409 0.145427
C 0.318728 -1.381931 -1.191518
C 1.540803 -0.825449 -0.434026
C -5.044457 0.233743 0.148827
C 2.870823 -1.298867 -1.081724
C -5.353433 1.579330 0.529190
C -6.131530 -0.698278 0.129654
C 4.068692 -0.706931 -0.377285
C -6.673376 1.968272 0.834263
C -7.446523 -0.294820 0.437359
C -7.739694 1.042029 0.788985
C 5.421056 1.119918 0.074527
C 5.838818 -0.900311 1.099993
C 5.058658 3.363775 -0.991326
H -1.842962 -2.912380 -1.006624
H -2.288541 -1.602644 -2.159674
H -1.494924 0.676270 -1.738096
H -0.500814 1.015057 -0.276987
H -4.197765 -2.139370 -0.783662
H -3.268069 -2.009220 0.744397
H -2.360243 0.633196 1.231287
H -2.852240 1.771574 -0.063799
H 0.352375 -1.032231 -2.257766
H 0.391305 -2.487191 -1.215054
H 1.491425 -1.162976 0.617878
H 1.535446 0.280336 -0.429360
H 2.946846 -2.398957 -1.035900
H 2.890182 -0.981719 -2.141597
H -4.568287 2.336774 0.594253
H -5.963847 -1.748624 -0.121249
H -6.864921 3.010357 1.117022
H -8.248906 -1.041667 0.406658
H -8.762401 1.349083 1.030416
H 6.574671 2.747647 0.430589
H 6.309704 -2.652860 2.079360
H 7.365255 -1.272331 2.447912
H 5.735995 3.768775 -1.766750
H 4.624111 4.208524 -0.423667
H 4.245859 2.806901 -1.481504


