%chk=000206159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206159

0 1
O 5.892754 -0.051190 2.066057
O 0.398159 0.084688 0.974500
O -0.631984 2.508578 -2.843257
N 0.238548 1.444059 -0.914923
N 3.939738 0.282445 0.010718
N -1.847415 0.870360 -1.683747
C -1.687928 0.109540 -0.402118
C 1.624262 1.981307 -0.976494
C 2.546405 1.113283 -1.841747
C -0.223471 0.492626 0.026537
C 3.031258 -0.146838 -1.102906
C -1.735409 -1.395775 -0.614591
C -2.740516 0.566197 0.594185
C -0.742636 1.722542 -1.935217
C 3.590997 -0.403073 1.297148
C 5.379463 0.041205 -0.328763
C 4.502407 0.142919 2.405418
C 6.246558 0.582296 0.820092
C -1.542209 -2.223649 0.504896
C -4.064971 0.134318 0.414047
C -1.960884 -1.967644 -1.871823
C -2.428013 1.421405 1.658121
C -1.585545 -3.611065 0.363941
C -5.066026 0.561362 1.288440
C -2.004582 -3.359972 -2.006425
C -3.434556 1.844291 2.532817
C -1.820024 -4.182283 -0.892367
C -4.752806 1.418825 2.349011
H 2.019124 2.044376 0.067276
H 1.568249 3.015656 -1.387482
H 3.420792 1.727012 -2.143104
H 2.040398 0.823684 -2.783034
H 3.524187 -0.833732 -1.822304
H 2.153108 -0.703920 -0.706872
H -2.781182 1.121793 -1.995265
H 3.685750 -1.507974 1.241093
H 2.523396 -0.174015 1.533531
H 5.614067 0.585330 -1.267527
H 5.611795 -1.032173 -0.498542
H 4.406733 -0.428409 3.344740
H 4.327142 1.217321 2.588590
H 6.140376 1.675701 0.931474
H 7.309272 0.307465 0.706975
H -1.345491 -1.777185 1.482745
H -4.310589 -0.546845 -0.401732
H -2.095332 -1.340449 -2.753827
H -1.403966 1.758321 1.825735
H -1.434644 -4.249354 1.233545
H -6.091766 0.223143 1.146079
H -2.181039 -3.801192 -2.986368
H -3.185638 2.507746 3.360751
H -1.855174 -5.265161 -1.000331
H -5.534443 1.751103 3.030905


%chk=000206159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206159

0 1
O 5.828483 -0.322849 2.008665
O 0.364222 0.291418 1.132737
O -0.561676 2.358294 -2.992882
N 0.257858 1.405559 -0.956626
N 3.817245 0.113892 -0.038116
N -1.830672 0.878507 -1.625743
C -1.687299 0.170473 -0.332850
C 1.602712 2.011781 -1.013247
C 2.574037 1.216720 -1.913828
C -0.236858 0.612215 0.077911
C 3.013335 -0.114436 -1.263668
C -1.672798 -1.365960 -0.492840
C -2.758397 0.662497 0.663619
C -0.720069 1.624758 -1.987680
C 3.633777 -0.928902 1.005170
C 5.258110 0.330575 -0.318138
C 4.391677 -0.524221 2.278445
C 5.995201 0.712146 0.976858
C -1.631941 -2.179245 0.668745
C -4.051134 0.079601 0.630775
C -1.636182 -1.976287 -1.768682
C -2.514383 1.745732 1.542977
C -1.568170 -3.583320 0.551279
C -5.083771 0.577590 1.454213
C -1.578790 -3.384631 -1.884531
C -3.546000 2.239766 2.371645
C -1.545890 -4.192557 -0.726150
C -4.834811 1.661326 2.327696
H 2.001397 2.030385 0.016633
H 1.481854 3.042203 -1.390207
H 3.461582 1.851797 -2.099594
H 2.104395 1.030097 -2.898375
H 3.568993 -0.730399 -2.012117
H 2.114771 -0.695998 -0.984690
H -2.720508 0.977805 -2.111520
H 4.004602 -1.927596 0.662502
H 2.556138 -1.008701 1.235447
H 5.373561 1.147198 -1.056266
H 5.730476 -0.588647 -0.750481
H 4.345294 -1.319512 3.040560
H 3.953864 0.412014 2.686579
H 5.604380 1.682981 1.352740
H 7.082465 0.789638 0.808530
H -1.638927 -1.708728 1.657405
H -4.244537 -0.774631 -0.028599
H -1.647830 -1.351924 -2.668360
H -1.517792 2.196132 1.599218
H -1.534275 -4.202360 1.454608
H -6.077799 0.118311 1.418386
H -1.556824 -3.847084 -2.877652
H -3.342735 3.073184 3.053012
H -1.499764 -5.283600 -0.815853
H -5.633897 2.045991 2.970942


