%chk=000186387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186387

0 1
O 3.406801 -0.390544 0.070725
O 2.078544 1.385154 -0.623362
O 3.867956 1.060344 2.454355
O -1.852705 1.623361 -0.549852
O 0.380701 -2.990015 3.158785
N 0.021352 0.242558 0.722284
N -2.401934 -0.023995 0.927440
N -0.978025 -1.513634 2.047952
C -4.255158 1.269817 -0.176052
C 2.475410 0.581131 0.485167
C 1.302497 -0.239956 1.041421
C -2.737500 1.012122 0.023546
C -4.831573 0.076603 -0.946896
C -4.392863 2.557199 -0.997033
C -4.938638 1.437123 1.185108
C 2.970819 1.634805 1.513431
C -1.083725 -0.467271 1.251214
C 1.466864 -1.316945 1.844947
C 4.776698 0.067327 -0.189419
C 1.878084 0.702041 -1.901440
C 0.312201 -2.036079 2.421047
C 5.403384 -1.105939 -0.913859
C 0.727532 1.437553 -2.556250
H -4.326426 -0.070798 -1.910257
H -5.895576 0.234352 -1.169003
H -4.761881 -0.865026 -0.390905
H -3.996163 3.427854 -0.459131
H -5.439844 2.766655 -1.241232
H -3.835966 2.496623 -1.942548
H -4.436098 2.187619 1.808344
H -5.976238 1.776338 1.058856
H -4.986673 0.505275 1.759547
H 2.119745 2.112100 2.032460
H 3.574453 2.420170 1.013315
H -0.089687 1.045490 0.061455
H -3.147497 -0.558740 1.403710
H 2.453559 -1.726731 2.065066
H 5.240122 0.270247 0.795266
H 4.736390 0.984759 -0.798437
H 1.677987 -0.369201 -1.730864
H 2.830836 0.818259 -2.446989
H 3.424684 0.337755 2.959380
H 6.480011 -0.956936 -1.055567
H 5.264499 -2.038104 -0.345568
H 4.946313 -1.269306 -1.897724
H 0.540399 1.066220 -3.569803
H -0.209803 1.340308 -1.984681
H 0.931031 2.515659 -2.623452


%chk=000186387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186387

0 1
O 3.478799 -0.418921 0.137926
O 1.929496 1.104883 -0.954393
O 3.513371 1.486653 2.364451
O -1.839191 1.621945 -0.564651
O 0.483841 -2.679772 3.598922
N 0.005514 0.251181 0.780640
N -2.357804 0.107546 1.122520
N -0.956308 -1.285488 2.364834
C -4.225703 1.328790 -0.033265
C 2.416279 0.539115 0.311524
C 1.297160 -0.211659 1.038116
C -2.719618 1.034758 0.149553
C -4.572193 1.017268 -1.519244
C -4.424156 2.850276 0.236349
C -5.142914 0.503390 0.903256
C 2.822679 1.810413 1.125283
C -1.052682 -0.336982 1.449754
C 1.489696 -1.207143 1.968196
C 4.802437 0.136045 -0.257261
C 1.633390 0.109270 -2.023153
C 0.347583 -1.790155 2.711477
C 5.682197 -1.061889 -0.607629
C 0.870647 0.858058 -3.114614
H -3.916139 1.589297 -2.196311
H -5.621755 1.297570 -1.720499
H -4.454388 -0.058864 -1.743741
H -4.209232 3.105210 1.290507
H -5.471077 3.131186 0.021348
H -3.757536 3.446299 -0.409182
H -4.955327 0.717235 1.972997
H -6.195186 0.772024 0.704562
H -5.052646 -0.585841 0.726904
H 1.913445 2.420947 1.294950
H 3.533733 2.403824 0.531350
H -0.200292 0.972910 0.060926
H -3.077490 -0.365777 1.675155
H 2.491181 -1.602490 2.145286
H 5.216104 0.705841 0.595644
H 4.671333 0.812958 -1.125168
H 1.034319 -0.723650 -1.603087
H 2.586945 -0.310118 -2.393936
H 2.933446 0.912758 2.929796
H 6.694230 -0.719391 -0.890823
H 5.774022 -1.739726 0.258152
H 5.255808 -1.632848 -1.450539
H 0.649598 0.177717 -3.957517
H -0.081292 1.257212 -2.723341
H 1.470576 1.701736 -3.497529


