%chk=000195153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195153

0 1
O -0.774574 0.736806 -1.334495
O -0.466137 5.048526 1.105819
O 1.573175 3.183800 1.378750
O 4.957944 0.478731 0.415872
O 3.802087 -0.102651 -1.414057
O 0.359987 -3.638794 -0.129549
O -0.135793 -2.513401 1.743019
N -1.241089 2.624986 -0.156487
N 1.675313 1.474047 -0.148739
N -3.962638 1.809111 -0.808531
N -1.815041 -5.165873 0.606376
C -3.152022 -0.609215 -0.724672
C -2.970966 0.849119 -0.254829
C -2.994221 -1.604174 0.430170
C 0.033210 3.279970 -0.511617
C -2.920159 -3.048381 -0.083702
C 2.614057 0.654718 0.640411
C -1.575004 1.374595 -0.655540
C 1.962478 -0.633002 1.175786
C 1.155331 2.658578 0.358300
C -0.059148 4.799322 -0.234707
C -2.677290 -4.031030 1.074158
C 1.352516 -1.514344 0.086153
C 3.786464 0.297291 -0.277373
C 0.464990 -2.569998 0.683870
H -2.407842 -0.840452 -1.522301
H -4.139624 -0.744753 -1.202831
H -3.048470 0.894824 0.868200
H -2.066902 -1.378151 1.004893
H -3.829828 -1.496596 1.147081
H 0.260805 3.111475 -1.602367
H -2.093769 -3.125899 -0.825736
H -3.842433 -3.315203 -0.630171
H 3.002257 1.267208 1.513411
H -1.897267 3.187942 0.396495
H 1.172786 -0.356705 1.913768
H 2.710804 -1.209481 1.759490
H 1.194881 0.986430 -0.930647
H 0.912834 5.288856 -0.433808
H -0.853992 5.275511 -0.842150
H -3.639820 -4.370576 1.505615
H -2.111157 -3.518178 1.897767
H -4.014754 1.741049 -1.822511
H -4.891778 1.613501 -0.444433
H 2.134959 -1.973072 -0.558723
H 0.725031 -0.914786 -0.624420
H -1.684729 -5.844228 1.354313
H -2.245279 -5.655389 -0.174778
H 0.233382 4.704918 1.736480
H 5.766911 0.254557 -0.119054
H -0.362176 -4.360039 0.211531


%chk=000195153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195153

0 1
O -0.438614 0.499324 -1.734187
O -0.869214 4.705326 1.098949
O 1.520980 3.328868 1.232338
O 5.075260 0.046257 0.266942
O 3.880691 0.311827 -1.709017
O 0.309191 -3.391273 0.629969
O -0.306172 -1.542386 1.875820
N -1.182785 2.213404 -0.336799
N 1.806211 1.602077 -0.315326
N -3.140023 0.782568 0.785392
N -1.958057 -4.355999 1.325168
C -3.225396 -0.590521 -1.343089
C -2.356971 0.058704 -0.236000
C -3.996398 -1.854526 -0.884954
C -0.084579 3.139824 -0.654439
C -3.072742 -3.052645 -0.507074
C 2.843215 0.917013 0.464354
C -1.259024 0.955257 -0.857156
C 2.250117 -0.262872 1.305155
C 1.166892 2.713826 0.166810
C -0.494027 4.585201 -0.310761
C -2.972409 -3.284416 1.015514
C 1.705995 -1.430190 0.450933
C 3.943786 0.422264 -0.466700
C 0.497978 -2.125351 1.075914
H -2.559588 -0.850906 -2.186690
H -3.942135 0.167230 -1.724073
H -1.773154 -0.734976 0.268476
H -4.653046 -1.601302 -0.026462
H -4.673151 -2.157170 -1.706230
H 0.142181 3.045847 -1.733949
H -2.057129 -2.886061 -0.916027
H -3.452113 -3.980975 -0.981290
H 3.271874 1.653388 1.167290
H -1.847170 2.422473 0.428076
H 1.427504 0.152945 1.914253
H 3.030345 -0.623757 1.998761
H 1.397194 1.136604 -1.143748
H 0.339144 5.270905 -0.568155
H -1.388787 4.869923 -0.889059
H -3.968877 -3.551138 1.422637
H -2.617060 -2.373337 1.527070
H -4.112654 0.982365 0.542257
H -3.013374 0.463472 1.747573
H 2.477195 -2.187194 0.228492
H 1.339702 -1.064037 -0.531272
H -1.918945 -4.554105 2.336380
H -2.163775 -5.228933 0.815375
H -0.046344 4.440935 1.606899
H 5.768624 -0.305134 -0.355204
H -0.672069 -3.837122 0.960364


