%chk=000197255.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197255

0 1
O -2.501026 -2.037795 -1.836996
O -4.558820 -1.242538 -3.662014
O 1.913089 -0.738713 -1.084697
O 1.056966 0.977106 2.556856
O -2.817311 3.941133 2.709636
N -4.744371 0.686727 -0.503252
N -3.618248 1.836600 2.412662
C -4.707129 -1.065487 -2.251282
C -4.297355 0.377906 -1.894844
C -3.914507 -2.146545 -1.499522
C -4.162838 1.984235 -0.032295
C -4.611700 2.285223 1.413290
C -1.645204 -1.419406 -0.964431
C 0.615800 -0.761149 -0.588872
C 0.282233 -0.205856 0.657352
C -0.320723 -1.373889 -1.427149
C 2.907517 -0.131537 -0.306340
C -2.022463 -0.882709 0.286043
C -1.058405 -0.289702 1.083049
C 1.309876 0.457357 1.484770
C 4.188558 -0.231708 -1.018046
C 2.651604 0.436705 0.887404
C -2.714402 2.755434 2.977345
C 5.386940 -0.348058 -0.291626
C 4.226676 -0.210783 -2.423498
C -1.679826 2.163182 3.909559
C 6.646176 -0.400917 -2.368193
C 6.605127 -0.430858 -0.963162
C 5.446413 -0.292793 -3.092306
C -1.442525 3.090640 5.096017
C 7.951212 -0.501313 -3.084275
H -5.802867 -1.227277 -2.101546
H -4.715622 1.064342 -2.665007
H -3.191115 0.483908 -1.959467
H -4.148964 -3.159710 -1.883534
H -4.080686 -2.096656 -0.408599
H -4.434539 2.840952 -0.687043
H -3.051169 1.907547 -0.074970
H -5.770413 0.748992 -0.484064
H -5.588288 1.805335 1.643164
H -4.755775 3.389988 1.529009
H -0.037289 -1.802561 -2.384335
H -3.069459 -0.905991 0.598217
H -1.315702 0.129844 2.060395
H -3.510504 0.835982 2.515443
H -3.605236 -1.297090 -3.904327
H 3.431885 0.929674 1.469316
H 5.364017 -0.378242 0.799213
H 3.293890 -0.130969 -2.986534
H -1.952667 1.153197 4.268643
H -0.720167 2.028726 3.343225
H 7.529567 -0.520601 -0.394414
H 5.467777 -0.273665 -4.180869
H -1.247553 4.119839 4.756134
H -2.310670 3.129286 5.763294
H -0.575320 2.764830 5.682024
H 8.205048 -1.554296 -3.284290
H 7.940235 0.015902 -4.053805
H 8.782550 -0.075080 -2.505554


%chk=000197255-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197255

0 1
O -2.412255 -1.603275 -1.961169
O -4.767102 -1.150738 -3.511079
O 2.212419 -0.618832 -1.315361
O 1.477563 1.826173 2.002283
O -3.532867 3.822155 3.565805
N -4.961700 0.773107 -0.255650
N -3.965083 1.846360 2.417513
C -4.813041 -0.974540 -2.052851
C -4.715316 0.526877 -1.701499
C -3.756901 -1.870964 -1.384152
C -4.889243 2.214097 0.118101
C -5.071210 2.409701 1.633730
C -1.456085 -0.910514 -1.197787
C 0.889603 -0.414028 -0.879087
C 0.598480 0.417808 0.234201
C -0.115275 -1.085227 -1.600105
C 3.272606 0.010856 -0.634409
C -1.790044 -0.066175 -0.099872
C -0.760763 0.581702 0.596712
C 1.692738 1.085900 0.981323
C 4.583046 -0.316411 -1.231701
C 3.033485 0.820271 0.458208
C -3.242043 2.608900 3.331876
C 5.783064 0.266736 -0.737181
C 4.676370 -1.223266 -2.323104
C -2.071238 1.893903 4.015845
C 7.125662 -0.961410 -2.399897
C 7.025929 -0.051149 -1.313354
C 5.925841 -1.535267 -2.893268
C -2.021485 2.203322 5.528303
C 8.473337 -1.322419 -2.995214
H -5.811822 -1.355794 -1.759697
H -5.431202 1.065549 -2.362683
H -3.703270 0.901698 -1.949429
H -3.957325 -2.923512 -1.646761
H -3.750023 -1.748375 -0.287523
H -5.655347 2.823847 -0.417568
H -3.895922 2.596167 -0.182492
H -5.877263 0.384562 0.024536
H -6.038331 1.965419 1.953678
H -5.106073 3.485868 1.878866
H 0.134210 -1.735158 -2.441855
H -2.841100 0.107690 0.168335
H -0.978193 1.249170 1.435679
H -3.711553 0.870439 2.254872
H -3.813329 -1.102249 -3.785094
H 3.867851 1.291998 0.980956
H 5.751386 0.977942 0.094311
H 3.763358 -1.675640 -2.718701
H -2.117238 0.801033 3.841284
H -1.132996 2.254081 3.547216
H 7.936106 0.414988 -0.917634
H 5.971960 -2.235189 -3.736023
H -2.033174 3.295059 5.684160
H -2.891725 1.774245 6.057331
H -1.101326 1.790540 5.977889
H 8.945992 -2.148750 -2.428983
H 8.378488 -1.655136 -4.043357
H 9.171665 -0.467446 -2.967569


