%chk=000250965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250965

0 1
O -0.131949 -1.524195 -0.997405
O 0.621384 1.375080 0.782740
O -2.816748 0.538579 -1.463299
O -3.081807 0.319737 0.667122
O 0.577709 -0.460370 -2.865629
O 0.405949 -0.501976 2.028735
N -2.821053 -0.121240 -0.437775
C -2.509885 -1.643302 -0.573287
C -1.407309 -1.818809 -1.638293
C -2.089104 -2.183903 0.782823
C -3.809138 -2.277709 -1.074980
C -0.668519 3.346277 0.796915
C -1.815222 3.302232 -0.220943
C 2.081187 -0.742019 -0.974711
C 0.807197 -0.831568 -1.742084
C -0.480566 2.024059 1.525441
C 2.166053 -0.316689 0.356758
C 3.248632 -1.111771 -1.664370
C -2.039172 4.662828 -0.874258
C 0.970979 0.111707 1.152430
C 3.410525 -0.275066 1.002271
C 4.485698 -1.068597 -1.018941
C 4.566162 -0.654388 0.315138
H -1.327429 -2.872095 -1.961779
H -1.552951 -1.157178 -2.521416
H -1.117792 -1.763872 1.114250
H -1.963958 -3.272319 0.761188
H -2.812372 -1.940296 1.574329
H -4.137337 -1.861391 -2.038154
H -3.694552 -3.361967 -1.207477
H -4.633383 -2.140032 -0.359612
H -0.845367 4.153516 1.534592
H 0.279422 3.614465 0.279477
H -1.600019 2.540491 -1.000794
H -2.748991 2.957650 0.269071
H -1.358947 1.352634 1.495268
H -0.137097 2.138672 2.566019
H -1.143918 5.009942 -1.402424
H -2.850989 4.611725 -1.609946
H -2.309775 5.428578 -0.139600
H 3.184018 -1.424563 -2.709800
H 3.473971 0.051968 2.042160
H 5.389636 -1.355885 -1.557321
H 5.532727 -0.623737 0.820070


%chk=000250965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250965

0 1
O -0.289850 -0.940639 -0.603400
O 0.492535 1.525679 0.670110
O -3.090275 0.196281 0.925129
O -2.639874 -1.691999 2.106664
O 0.558118 -0.106332 -2.606510
O 1.206146 0.634244 2.707520
N -2.764533 -1.049289 1.008481
C -2.559066 -1.817883 -0.353804
C -1.634540 -0.952806 -1.225457
C -1.980451 -3.208284 -0.062429
C -3.962124 -1.880475 -1.006096
C -0.885907 3.531832 0.465846
C -1.558199 3.113383 -0.861864
C 2.061628 -0.482933 -0.713701
C 0.738814 -0.435629 -1.411468
C -0.528266 2.363770 1.384476
C 2.275089 -0.066799 0.630885
C 3.135410 -1.041574 -1.451318
C -1.959071 4.329215 -1.723724
C 1.270361 0.684127 1.455344
C 3.539028 -0.287354 1.232124
C 4.396981 -1.234511 -0.850498
C 4.593559 -0.873978 0.502350
H -1.567167 -1.383602 -2.240886
H -2.004108 0.083929 -1.295906
H -1.011431 -3.135557 0.454159
H -1.829907 -3.735597 -1.021674
H -2.667848 -3.800382 0.562133
H -4.364737 -0.869590 -1.186959
H -3.893692 -2.416683 -1.968595
H -4.664921 -2.430846 -0.357431
H -1.573463 4.194351 1.031620
H 0.026552 4.123654 0.254892
H -0.863580 2.466647 -1.431315
H -2.456126 2.503740 -0.631900
H -1.398595 1.714789 1.591957
H -0.088138 2.693491 2.342376
H -1.074237 4.940189 -1.984243
H -2.437139 4.012360 -2.668665
H -2.672388 4.982472 -1.185769
H 2.962804 -1.332598 -2.492418
H 3.677262 0.023230 2.272550
H 5.215836 -1.672445 -1.430724
H 5.565409 -1.034394 0.980635


