%chk=000269387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269387

0 1
O -2.075790 2.433778 0.780958
O 2.469916 1.876577 -0.973280
O -2.647328 2.493360 -1.409870
O 3.694619 1.669741 0.921405
O -0.904939 -3.510279 1.976411
O 0.046050 -3.678396 -2.063441
O -0.708906 -1.594084 2.958567
O 0.346519 -1.817762 -3.123014
N -1.061578 -2.300238 2.028801
N 0.516809 -2.556093 -2.167666
C 0.395870 3.845123 -0.233250
C -0.432513 4.180290 1.011807
C 1.895452 4.048150 0.010607
C -1.915847 3.892496 0.810838
C 2.741348 3.316518 -1.025295
C -2.381788 1.846997 -0.422283
C 2.979282 1.165974 0.086267
C -2.333231 0.367326 -0.296945
C 2.514176 -0.244510 0.026401
C -1.769331 -0.243845 0.828518
C 1.768841 -0.718891 -1.058841
C -2.838517 -0.410284 -1.354032
C 2.828894 -1.094526 1.101598
C -1.698894 -1.643850 0.869614
C 1.329603 -2.050566 -1.042939
C -2.777653 -1.805733 -1.286469
C 2.388743 -2.421917 1.096642
C -2.206947 -2.432325 -0.178509
C 1.636854 -2.909411 0.027787
H 0.210783 2.789496 -0.526660
H 0.061288 4.455542 -1.094411
H -0.301172 5.245596 1.288283
H -0.060980 3.593343 1.878802
H 2.176187 3.689855 1.025563
H 2.148058 5.126758 0.000172
H -2.530205 4.178592 1.683046
H -2.329385 4.334599 -0.114636
H 3.823453 3.473264 -0.871448
H 2.453451 3.537502 -2.069609
H -1.382914 0.362033 1.662033
H 1.526788 -0.059269 -1.905913
H -3.270488 0.087581 -2.231173
H 3.416634 -0.704749 1.942248
H -3.166262 -2.409431 -2.111291
H 2.626699 -3.078788 1.937747
H -2.136606 -3.527099 -0.123448
H 1.274662 -3.946341 0.018608


%chk=000269387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269387

0 1
O -2.059573 2.488543 0.707484
O 2.597899 1.904005 -0.930073
O -3.275684 2.444312 -1.290907
O 3.928270 1.567259 0.960371
O -0.889411 -3.596155 1.903953
O 0.086272 -3.777737 -2.056150
O -0.515601 -1.559529 2.854838
O 0.178186 -1.722797 -3.035716
N -1.020772 -2.310969 1.934932
N 0.512204 -2.559003 -2.111075
C 0.442483 3.855812 -0.211443
C -0.495514 4.359747 0.907059
C 1.936314 4.067307 0.120663
C -1.962841 3.981625 0.670490
C 2.882786 3.373404 -0.871247
C -2.696299 1.846269 -0.352212
C 3.151024 1.121652 0.080913
C -2.577630 0.357363 -0.241302
C 2.689410 -0.299816 -0.005121
C -1.889725 -0.257058 0.829840
C 1.845424 -0.746333 -1.047489
C -3.144511 -0.437100 -1.272248
C 3.096032 -1.197955 1.016391
C -1.776297 -1.661192 0.833892
C 1.419521 -2.088933 -1.033548
C -3.022601 -1.842558 -1.238483
C 2.653638 -2.537868 1.005480
C -2.333375 -2.471957 -0.180885
C 1.806070 -2.998914 -0.023411
H 0.264690 2.775473 -0.365815
H 0.192327 4.359126 -1.167710
H -0.439187 5.463957 0.995924
H -0.170703 3.944463 1.881157
H 2.155382 3.695185 1.139593
H 2.183175 5.148756 0.119556
H -2.619088 4.350626 1.477580
H -2.342770 4.331327 -0.306132
H 3.939459 3.513893 -0.583678
H 2.715922 3.705041 -1.909073
H -1.444588 0.338056 1.629747
H 1.521455 -0.068998 -1.840350
H -3.661502 0.068152 -2.094276
H 3.745261 -0.821217 1.813245
H -3.448025 -2.448684 -2.043138
H 2.954839 -3.220932 1.804618
H -2.208592 -3.556763 -0.138827
H 1.435951 -4.026783 -0.049118


