%chk=000214865.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214865

0 1
O 7.088482 1.173692 -1.947056
O 4.440755 2.442300 1.185051
O 5.437147 -0.112177 -2.751469
O 4.958757 -4.481720 -0.219296
O 6.984909 -3.670903 0.277250
N -1.958345 2.898958 0.478364
N 4.108045 0.716292 -0.258536
N -4.676434 0.861189 -0.223283
N -2.909879 -1.369939 -0.098447
N -7.100698 -1.889153 0.352408
N -7.485678 0.397172 0.111508
N -6.811059 -4.180613 0.716506
C 5.542166 0.399284 -0.323370
C 5.891053 -0.970258 0.284725
C -2.823255 2.394676 -0.620441
C -0.594356 2.538241 0.501940
C 5.162076 -2.145704 -0.368205
C 2.181799 2.026597 0.480195
C 3.646006 1.795769 0.524428
C -3.362960 1.004121 -0.372872
C 0.163380 2.617078 1.698479
C 0.073981 2.202391 -0.705501
C 1.530875 2.377715 1.676505
C 1.441198 1.960605 -0.709717
C 5.954971 0.424290 -1.800057
C -2.675461 3.035339 1.773266
C -5.158777 -0.411235 -0.009693
C -2.469715 -0.140542 -0.305804
C -4.293014 -1.557083 0.059984
C 5.847707 -3.441189 -0.057481
C -6.589390 -0.642845 0.152006
C -4.823311 -2.833687 0.280554
C -6.217764 -2.961575 0.433253
H 6.119447 1.205017 0.236412
H 5.662200 -0.942627 1.372694
H 6.993811 -1.125125 0.225139
H -2.259790 2.414725 -1.585491
H -3.665486 3.121130 -0.746630
H 3.474657 0.096290 -0.754574
H 5.113098 -2.028121 -1.481081
H 4.098362 -2.190722 -0.044114
H -0.310857 2.879240 2.640967
H -0.478744 2.165757 -1.643593
H 2.116016 2.460491 2.597770
H 1.940033 1.729063 -1.653566
H -2.199057 3.828825 2.375631
H -2.695057 2.101163 2.359067
H -3.720578 3.342462 1.595723
H -1.385358 0.002354 -0.425873
H -4.156531 -3.688523 0.341147
H 7.409431 1.220764 -2.889838
H 5.369930 -5.370427 -0.045685
H -8.475281 0.224760 0.195138
H -7.173507 1.336055 -0.082826
H -7.817565 -4.256372 0.719835
H -6.289785 -5.032468 0.605455


%chk=000214865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214865

0 1
O 7.587264 0.860132 -2.484684
O 4.639980 1.775490 1.530277
O 5.378365 0.844832 -3.197362
O 5.773107 -4.114803 -0.400254
O 7.122173 -2.973356 1.105647
N -1.828946 2.193262 0.989142
N 4.432044 0.998393 -0.640740
N -4.917471 0.710562 -0.230931
N -3.686832 -1.719401 0.685305
N -7.825062 -1.556699 -0.281595
N -7.631030 0.720669 -0.834392
N -8.097753 -3.801233 0.246430
C 5.884091 0.853610 -0.775077
C 6.446049 -0.416535 -0.064360
C -2.782482 1.936513 -0.102896
C -0.450096 2.003600 0.850831
C 5.827640 -1.718864 -0.599565
C 2.398055 1.630145 0.598522
C 3.883512 1.479547 0.544468
C -3.596865 0.659778 0.073402
C 0.458397 2.501864 1.841090
C 0.112587 1.292994 -0.259829
C 1.841018 2.312107 1.711646
C 1.501029 1.120521 -0.378647
C 6.213695 0.857530 -2.262389
C -2.385501 2.762370 2.226335
C -5.640140 -0.447191 -0.088666
C -3.004021 -0.567443 0.537029
C -5.049466 -1.685839 0.366849
C 6.327665 -2.942117 0.141606
C -7.062565 -0.450037 -0.401581
C -5.857181 -2.840950 0.490175
C -7.229525 -2.729476 0.157521
H 6.378542 1.723981 -0.298954
H 6.232006 -0.305296 1.011761
H 7.543337 -0.430986 -0.182500
H -2.238606 1.919549 -1.064258
H -3.501680 2.774541 -0.175138
H 3.881429 0.921476 -1.499852
H 6.039045 -1.871023 -1.676371
H 4.724457 -1.692753 -0.508972
H 0.080072 3.051956 2.706905
H -0.533773 0.844219 -1.020000
H 2.530875 2.693510 2.472015
H 1.868170 0.543135 -1.236190
H -2.157612 3.843394 2.330688
H -1.996945 2.236963 3.118017
H -3.480456 2.638386 2.216291
H -1.940227 -0.592186 0.799229
H -5.412210 -3.777084 0.835386
H 7.769175 0.859591 -3.463444
H 6.112126 -4.899857 0.110131
H -8.620647 0.746173 -1.065479
H -7.031509 1.540344 -0.923666
H -9.071177 -3.651369 -0.007950
H -7.783528 -4.715841 0.555944


