%chk=000253566.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253566

0 1
O -1.602541 7.042661 -0.460111
O -2.515308 -6.241958 0.766686
O -2.802551 6.323738 -2.270756
O -1.271620 -8.157706 0.906338
N 2.638257 0.571917 0.266542
N 3.487141 -1.514723 -0.684105
N 1.949361 1.701775 -0.060442
N 2.507130 -2.464059 -0.567584
C 3.134153 -0.085860 -1.000597
C 3.640611 0.594740 1.370709
C 4.578285 -2.020478 -1.576688
C 0.857342 3.786690 0.396474
C 0.351560 -3.298140 0.059976
C 1.763715 2.687686 0.777779
C 1.289502 -2.186230 -0.188531
C -0.045859 3.669582 -0.673642
C 0.789023 -4.625523 0.203733
C 0.903693 4.985284 1.138232
C -1.024282 -3.004988 0.160253
C -0.824223 5.897186 -0.259510
C -1.475075 -5.334391 0.532871
C -0.896495 4.724958 -1.012362
C -0.121531 -5.658455 0.442160
C 0.066538 6.049167 0.817355
C -1.948488 -4.018006 0.395566
C -2.554920 7.181977 -1.467239
C -2.341822 -7.612122 0.939807
C -3.141381 8.541688 -1.316625
C -3.695874 -8.191164 1.159045
H 4.037141 0.431954 -1.399476
H 2.324762 -0.007919 -1.770073
H 4.112802 -0.403132 1.450107
H 4.433363 1.344885 1.239740
H 3.125020 0.774358 2.328203
H 4.351561 -1.939741 -2.650308
H 5.500667 -1.463870 -1.349546
H 4.769829 -3.087934 -1.355587
H 2.225146 2.787390 1.768784
H 0.873659 -1.179047 -0.024930
H -0.083906 2.741760 -1.250202
H 1.855393 -4.854208 0.127360
H 1.600959 5.086008 1.969587
H -1.371824 -1.977081 0.051662
H -1.596564 4.627541 -1.846214
H 0.224933 -6.688896 0.553221
H 0.087917 6.981889 1.376253
H -3.013467 -3.812674 0.474383
H -2.702370 9.103375 -0.475016
H -4.228622 8.479587 -1.146668
H -2.987205 9.135424 -2.232294
H -3.747718 -8.699830 2.135223
H -3.927427 -8.941662 0.386043
H -4.492593 -7.428817 1.135414


%chk=000253566-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253566

0 1
O -2.453860 5.497659 -0.042267
O -3.038181 -4.567649 0.604298
O -3.386578 4.800210 -2.092412
O -2.384691 -6.804614 0.962411
N 3.852253 0.753209 -0.171165
N 4.168761 -1.626148 -0.756958
N 2.708524 1.480970 -0.357566
N 3.015862 -2.348802 -0.509873
C 4.155832 -0.228820 -1.223711
C 4.681563 0.839660 1.035560
C 5.347308 -2.466833 -1.024617
C 1.089550 3.154919 0.319546
C 0.621528 -2.539657 -0.203937
C 2.324075 2.388150 0.528658
C 1.830996 -1.755757 -0.490496
C 0.272234 2.990894 -0.835200
C 0.655550 -3.939934 0.050392
C 0.680295 4.101875 1.301503
C -0.640481 -1.880199 -0.174778
C -1.289293 4.664982 -0.018467
C -1.756077 -3.983040 0.344986
C -0.910586 3.732505 -1.018107
C -0.516017 -4.671290 0.324925
C -0.498350 4.851275 1.136973
C -1.821653 -2.593976 0.096625
C -3.420588 5.514655 -1.068375
C -3.270505 -5.926147 0.893313
C -4.497093 6.525214 -0.733950
C -4.752548 -6.152596 1.107362
H 5.155697 -0.032933 -1.655694
H 3.389531 -0.063819 -2.007300
H 5.474761 0.078934 0.973823
H 5.145472 1.841715 1.138874
H 4.083837 0.634559 1.946904
H 5.405144 -2.795988 -2.083481
H 6.271938 -1.916869 -0.775181
H 5.280568 -3.362686 -0.389077
H 2.892975 2.608551 1.447807
H 1.686767 -0.676212 -0.663219
H 0.584681 2.270269 -1.597527
H 1.624382 -4.448609 0.030529
H 1.290256 4.249144 2.201204
H -0.692835 -0.800717 -0.362363
H -1.525284 3.596592 -1.908140
H -0.475204 -5.743354 0.518659
H -0.820274 5.579559 1.887253
H -2.795357 -2.095841 0.121364
H -4.296872 7.026791 0.222912
H -5.474619 6.013928 -0.690450
H -4.556037 7.273860 -1.543208
H -4.913841 -6.573391 2.115227
H -5.114680 -6.899655 0.379564
H -5.323036 -5.219938 0.997847


