%chk=000216496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216496

0 1
O 1.558429 -1.908656 1.423868
N 2.768136 0.001972 -1.280576
N 0.283992 -0.870696 -0.158032
C 2.664770 -1.365369 -0.685225
C -0.879149 -0.729581 0.758754
C 1.490451 -1.390311 0.320798
C 3.020252 1.105325 -0.306535
C 3.696604 0.015402 -2.458519
C 3.919562 -1.924539 -0.015600
C -0.882433 0.696028 1.292639
C -2.180694 -1.125145 0.081322
C 4.442648 1.259705 0.233361
C 3.419422 1.237359 -3.334941
C -0.321087 0.951959 2.551685
C -3.395796 -0.704550 0.648062
C -1.391423 1.755557 0.528655
C -2.201210 -1.950328 -1.050914
C -0.282749 2.258159 3.047366
C -4.610023 -1.089196 0.076658
C -1.349957 3.060177 1.027629
C -3.420125 -2.331472 -1.621814
C -0.797620 3.313337 2.287525
C -4.625895 -1.901069 -1.062807
H 2.374590 -2.058417 -1.527272
H -0.725100 -1.456034 1.618441
H 2.717107 2.045602 -0.824317
H 2.313293 0.986843 0.546373
H 4.766792 -0.003257 -2.157151
H 3.516937 -0.908638 -3.052874
H 0.273443 -0.287498 -0.996805
H 4.711919 -2.125819 -0.741064
H 3.695537 -2.860323 0.517974
H 4.320257 -1.230947 0.741599
H 4.762465 0.362181 0.785390
H 5.170763 1.433097 -0.565847
H 4.505906 2.107131 0.924976
H 2.347366 1.336968 -3.550110
H 3.740348 2.168483 -2.854341
H 3.945857 1.158195 -4.292060
H 0.094087 0.132447 3.141096
H -3.393955 -0.074076 1.537650
H -1.827079 1.560019 -0.450799
H -1.270792 -2.310726 -1.488996
H 0.150568 2.452812 4.027099
H -5.546876 -0.757238 0.521090
H -1.749500 3.880424 0.433881
H -3.426163 -2.970369 -2.503349
H -0.768287 4.329501 2.675556
H -5.572787 -2.198826 -1.507797


%chk=000216496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216496

0 1
O 1.488370 -2.171805 1.680596
N 2.717961 -0.211650 -1.181292
N 0.440145 -0.802899 0.101329
C 2.781783 -1.417692 -0.306473
C -0.837265 -0.680178 0.828034
C 1.518697 -1.492798 0.606343
C 3.011130 1.094708 -0.520062
C 3.289710 -0.386238 -2.540144
C 4.060349 -1.631106 0.541383
C -0.887066 0.674894 1.556480
C -2.045599 -0.968468 -0.076092
C 4.487914 1.568347 -0.502070
C 2.770276 0.661270 -3.544084
C -0.441523 0.756285 2.899430
C -3.351345 -0.603262 0.344793
C -1.286826 1.863128 0.893269
C -1.900587 -1.671393 -1.297320
C -0.398990 1.999664 3.569985
C -4.479601 -0.925737 -0.439468
C -1.241278 3.107346 1.559662
C -3.028831 -1.990562 -2.087570
C -0.798088 3.180240 2.901593
C -4.323945 -1.618325 -1.663146
H 2.691360 -2.290320 -0.987670
H -0.791317 -1.472677 1.603399
H 2.404966 1.876348 -1.019497
H 2.629694 1.031809 0.516043
H 4.405773 -0.369063 -2.538133
H 2.992555 -1.392774 -2.892319
H 0.659286 -0.231479 -0.729366
H 4.953154 -1.697409 -0.105889
H 3.959499 -2.566941 1.115866
H 4.203993 -0.815788 1.270795
H 5.149593 0.855939 0.017320
H 4.880494 1.718122 -1.524221
H 4.551486 2.540024 0.022483
H 1.666174 0.644322 -3.584983
H 3.089255 1.684544 -3.276679
H 3.160921 0.443947 -4.555037
H -0.116384 -0.157708 3.410953
H -3.483038 -0.063368 1.289381
H -1.646201 1.811672 -0.141683
H -0.900725 -1.979882 -1.620953
H -0.056258 2.046668 4.609810
H -5.479635 -0.636878 -0.096432
H -1.554594 4.018250 1.036652
H -2.895854 -2.534280 -3.029991
H -0.767239 4.145218 3.420155
H -5.199546 -1.866459 -2.273479


